4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

C24H30N4O3 — CID 112838505

IUPAC4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18(2)17-25-22(29)19-9-11-21(12-10-19)26-24(31)28-14-6-13-27(15-16-28)23(30)20-7-4-3-5-8-20/h3-5,7-12,18H,6,13-17H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyRMNOZNUDEQFEGQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.45
Rot. Bonds5

About 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 112838505) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID112838505
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18(2)17-25-22(29)19-9-11-21(12-10-19)26-24(31)28-14-6-13-27(15-16-28)23(30)20-7-4-3-5-8-20/h3-5,7-12,18H,6,13-17H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyRMNOZNUDEQFEGQ-UHFFFAOYSA-N
XLogP3.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)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-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
(7R)-7-methyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-thiazepane-4-carboxamide
CID 124623937
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (CID 112838505) is 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is CC(C)CNC(=O)c1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is RMNOZNUDEQFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18(2)17-25-22(29)19-9-11-21(12-10-19)26-24(31)28-14-6-13-27(15-16-28)23(30)20-7-4-3-5-8-20/h3-5,7-12,18H,6,13-17H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 112838505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).