(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide

C21H26N2O2 — CID 93076725

IUPAC(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-9-8-10-17(15-16)19-12-4-3-7-14-23(19)21(24)22-18-11-5-6-13-20(18)25-2/h5-6,8-11,13,15,19H,3-4,7,12,14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyNZRPKZPPVTVHMQ-LJQANCHMSA-N
MW338.45 g/mol
LogP5.15
Rot. Bonds3

About (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide

(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide (PubChem CID 93076725) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
PubChem CID93076725
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-16-9-8-10-17(15-16)19-12-4-3-7-14-23(19)21(24)22-18-11-5-6-13-20(18)25-2/h5-6,8-11,13,15,19H,3-4,7,12,14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyNZRPKZPPVTVHMQ-LJQANCHMSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076830
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide (CID 93076725) is (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide is COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide?
The InChIKey is NZRPKZPPVTVHMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-9-8-10-17(15-16)19-12-4-3-7-14-23(19)21(24)22-18-11-5-6-13-20(18)25-2/h5-6,8-11,13,15,19H,3-4,7,12,14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide?
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 93076725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).