Name: Name:methyl 4-benzamidocyclohexane-1-carboxylate, Mixture of diastereomers
Brand: Angene
SKU: AG01A65P
Rating: 90 (10 reviews)

methyl 4-benzamidocyclohexane-1-carboxylate, Mixture of diastereomers

CAS No.:

1461707-81-2

Catalog Number:

AG01A65P

Molecular Formula:

C15H19NO3

Molecular Weight:

261.3163

Catalog Number:

AG01A65P

Chemical Name:

methyl 4-benzamidocyclohexane-1-carboxylate, Mixture of diastereomers

CAS Number:

1461707-81-2

Molecular Formula:

C15H19NO3

Molecular Weight:

261.3163

MDL Number:

MFCD26148774

IUPAC Name:

methyl 4-benzamidocyclohexane-1-carboxylate

InChI:

InChI=1S/C15H19NO3/c1-19-15(18)12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,17)

InChI Key:

DKQKWJRNHCJGAA-UHFFFAOYSA-N

SMILES:

COC(=O)C1CCC(CC1)NC(=O)c1ccccc1

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.321g/mol

Monoisotopic Mass:

261.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3