2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide

C23H27N3O4 — CID 51115399

IUPAC2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
SMILESCOc1ccc(C2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C23H27N3O4/c1-29-20-11-9-17(10-12-20)21-8-3-2-4-13-26(21)22(27)24-18-6-5-7-19(16-18)25-14-15-30-23(25)28/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,24,27)
InChIKeyDVWRYMGITMGHQQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide

2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide (PubChem CID 51115399) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
PubChem CID51115399
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
SMILESCOc1ccc(C2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C23H27N3O4/c1-29-20-11-9-17(10-12-20)21-8-3-2-4-13-26(21)22(27)24-18-6-5-7-19(16-18)25-14-15-30-23(25)28/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,24,27)
InChIKeyDVWRYMGITMGHQQ-UHFFFAOYSA-N
XLogP4.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 52539601
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 96541607
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
1-(3,5-dimethoxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-4-carboxamide
CID 55718979
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022621
(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide (CID 51115399) is 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide is COc1ccc(C2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide?
The InChIKey is DVWRYMGITMGHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-20-11-9-17(10-12-20)21-8-3-2-4-13-26(21)22(27)24-18-6-5-7-19(16-18)25-14-15-30-23(25)28/h5-7,9-12,16,21H,2-4,8,13-15H2,1H3,(H,24,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide?
2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide is sourced from PubChem (CID 51115399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).