Name: Name:3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester
Brand: Angene
SKU: AG00BF16
Rating: 90 (10 reviews)

3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester

CAS No.:

214601-17-9

Catalog Number:

AG00BF16

Molecular Formula:

C23H31NO3

Molecular Weight:

369.4971

Catalog Number:

AG00BF16

Chemical Name:

3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid methyl ester

CAS Number:

214601-17-9

Molecular Formula:

C23H31NO3

Molecular Weight:

369.4971

MDL Number:

MFCD18207203

IUPAC Name:

methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate

InChI:

InChI=1S/C23H31NO3/c1-16(2)24(17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23(26)27-5)11-12-22(21)25/h6-12,15-17,20,25H,13-14H2,1-5H3/t20-/m1/s1

InChI Key:

LAPCBEFVTNSDFY-HXUWFJFHSA-N

SMILES:

COC(=O)c1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

369.23g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

369.505g/mol

Monoisotopic Mass:

369.23g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1