N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide

C29H32N4O4 — CID 22946017

IUPACN-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide
SMILESCOc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C29H32N4O4/c1-37-26-15-10-20(18-30)17-25(26)31-27(34)19-33-16-6-5-9-24(29(33)36)32-28(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-4,7-8,10-15,17,24H,5-6,9,16,18-19,30H2,1H3,(H,31,34)(H,32,35)
InChIKeyZMVNLGVLIJXOGQ-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.57
Rot. Bonds8

About N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide

N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide (PubChem CID 22946017) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide
PubChem CID22946017
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC NameN-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide
SMILESCOc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C29H32N4O4/c1-37-26-15-10-20(18-30)17-25(26)31-27(34)19-33-16-6-5-9-24(29(33)36)32-28(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-4,7-8,10-15,17,24H,5-6,9,16,18-19,30H2,1H3,(H,31,34)(H,32,35)
InChIKeyZMVNLGVLIJXOGQ-UHFFFAOYSA-N
XLogP3.57
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide 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

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
GR-103691
CID 4302960
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-3-(4-methylphenyl)-2-[(3-methylphenyl)formamido]propanamide
CID 23648320
(2S)-3-(4-methoxyphenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648322
(2S)-3-(4-acetamidophenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648323
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(4-phenylphenyl)propanamide
CID 23648330
Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10811379

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide (CID 22946017) is N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide is COc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide?
The InChIKey is ZMVNLGVLIJXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-37-26-15-10-20(18-30)17-25(26)31-27(34)19-33-16-6-5-9-24(29(33)36)32-28(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-4,7-8,10-15,17,24H,5-6,9,16,18-19,30H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide?
N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide has a molecular weight of 500.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[5-(aminomethyl)-2-methoxyanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 22946017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).