N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide

C29H32N2O3 — CID 42699992

IUPACN-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESO=C1NCCCCC1N(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H32N2O3/c32-28(19-16-23-9-3-1-4-10-23)31(27-13-7-8-20-30-29(27)33)21-24-14-17-26(18-15-24)34-22-25-11-5-2-6-12-25/h1-6,9-12,14-15,17-18,27H,7-8,13,16,19-22H2,(H,30,33)
InChIKeyCXKLMAMDULKQDB-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.90
Rot. Bonds9

About N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide

N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide (PubChem CID 42699992) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
PubChem CID42699992
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESO=C1NCCCCC1N(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C29H32N2O3/c32-28(19-16-23-9-3-1-4-10-23)31(27-13-7-8-20-30-29(27)33)21-24-14-17-26(18-15-24)34-22-25-11-5-2-6-12-25/h1-6,9-12,14-15,17-18,27H,7-8,13,16,19-22H2,(H,30,33)
InChIKeyCXKLMAMDULKQDB-UHFFFAOYSA-N
XLogP4.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide 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

N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26396690
3-fluoro-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 42484368
N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-[4-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 25019027
2-[4-[(N-methylanilino)methyl]phenoxy]-N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25019813
N-[(3-methyl-4-propoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-2-[4-[(4-phenylbutylamino)methyl]phenoxy]acetamide
CID 25016471
benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
CID 69260154
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
CID 173251867

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide (CID 42699992) is N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide is O=C1NCCCCC1N(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The InChIKey is CXKLMAMDULKQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c32-28(19-16-23-9-3-1-4-10-23)31(27-13-7-8-20-30-29(27)33)21-24-14-17-26(18-15-24)34-22-25-11-5-2-6-12-25/h1-6,9-12,14-15,17-18,27H,7-8,13,16,19-22H2,(H,30,33).
What are the key properties of N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide has a molecular weight of 456.59 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 42699992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).