3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one

C24H24N2O — CID 146164427

IUPAC3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
SMILESCc1ccc(N2C(=O)N(c3ccccc3)CCCC2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-19-14-16-22(17-15-19)26-23(20-9-4-2-5-10-20)13-8-18-25(24(26)27)21-11-6-3-7-12-21/h2-7,9-12,14-17,23H,8,13,18H2,1H3
InChIKeyFRIOQZAQBXKDPJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.96
Rot. Bonds3

About 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one

3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one (PubChem CID 146164427) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
PubChem CID146164427
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
SMILESCc1ccc(N2C(=O)N(c3ccccc3)CCCC2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-19-14-16-22(17-15-19)26-23(20-9-4-2-5-10-20)13-8-18-25(24(26)27)21-11-6-3-7-12-21/h2-7,9-12,14-17,23H,8,13,18H2,1H3
InChIKeyFRIOQZAQBXKDPJ-UHFFFAOYSA-N
XLogP5.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one 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,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 60837294
1-amino-3-(4-methylphenyl)-1,3-diazinan-2-one
CID 58787291
1-(4-fluorophenyl)-6-phenylpiperidin-2-one
CID 14576903
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
2-(4-methylphenyl)-3-phenyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 3825974
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
1-(3-methylphenyl)-5-phenylpyrazolidin-3-one;1-(4-methylphenyl)-5-phenylpyrazolidin-3-one
CID 159870608
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one?
The IUPAC name of 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one (CID 146164427) is 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one?
The canonical SMILES for 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one is Cc1ccc(N2C(=O)N(c3ccccc3)CCCC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one?
The InChIKey is FRIOQZAQBXKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-19-14-16-22(17-15-19)26-23(20-9-4-2-5-10-20)13-8-18-25(24(26)27)21-11-6-3-7-12-21/h2-7,9-12,14-17,23H,8,13,18H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one?
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one has a molecular weight of 356.47 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one is sourced from PubChem (CID 146164427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).