(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide

C21H26N2O3 — CID 41013165

IUPAC(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-25-17-13-11-16(12-14-17)19-9-4-3-7-15-23(19)21(24)22-18-8-5-6-10-20(18)26-2/h5-6,8,10-14,19H,3-4,7,9,15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyMEYZITFFZKQYNH-LJQANCHMSA-N
MW354.45 g/mol
LogP4.85
Rot. Bonds4

About (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide

(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide (PubChem CID 41013165) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
PubChem CID41013165
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C21H26N2O3/c1-25-17-13-11-16(12-14-17)19-9-4-3-7-15-23(19)21(24)22-18-8-5-6-10-20(18)26-2/h5-6,8,10-14,19H,3-4,7,9,15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyMEYZITFFZKQYNH-LJQANCHMSA-N
XLogP4.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
(2S)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51945000
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
(2R)-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7415297
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide (CID 41013165) is (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide is COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
The InChIKey is MEYZITFFZKQYNH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-17-13-11-16(12-14-17)19-9-4-3-7-15-23(19)21(24)22-18-8-5-6-10-20(18)26-2/h5-6,8,10-14,19H,3-4,7,9,15H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide?
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 41013165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).