4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide

C23H27N5O3 — CID 55738186

IUPAC4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C23H27N5O3/c1-17-5-2-6-18(15-17)21(29)26-10-4-11-27(14-13-26)23(31)25-19-7-3-8-20(16-19)28-12-9-24-22(28)30/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,25,31)
InChIKeyPZDXIKDRDPYVPE-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.90
Rot. Bonds3

About 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide

4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 55738186) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID55738186
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C23H27N5O3/c1-17-5-2-6-18(15-17)21(29)26-10-4-11-27(14-13-26)23(31)25-19-7-3-8-20(16-19)28-12-9-24-22(28)30/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,25,31)
InChIKeyPZDXIKDRDPYVPE-UHFFFAOYSA-N
XLogP2.90
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-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

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
4-(2,5-dimethylphenoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
CID 71886632
4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
N-[4-(methoxymethyl)phenyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 119049830
3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55717175
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide (CID 55738186) is 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide is Cc1cccc(C(=O)N2CCCN(C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1.
What is the InChIKey of 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is PZDXIKDRDPYVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17-5-2-6-18(15-17)21(29)26-10-4-11-27(14-13-26)23(31)25-19-7-3-8-20(16-19)28-12-9-24-22(28)30/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide?
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 55738186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).