4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide

C24H23N3O2 — CID 50754409

IUPAC4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H23N3O2/c28-23(25-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-17-7-16-26(24(27)29)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,25,28)
InChIKeyUFPNNRNRPUQBIR-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.77
Rot. Bonds5

About 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide (PubChem CID 50754409) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
PubChem CID50754409
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H23N3O2/c28-23(25-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-17-7-16-26(24(27)29)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,25,28)
InChIKeyUFPNNRNRPUQBIR-UHFFFAOYSA-N
XLogP4.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-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

N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814002
4-chloro-N-[4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42849031
N-[4-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42849086
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372
N-[4-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42849047
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868656
N-(2-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754330
N-[4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-4-methoxybenzamide
CID 46040810
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50813999
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 50754186

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide?
The IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide (CID 50754409) is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide?
The InChIKey is UFPNNRNRPUQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(25-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-17-7-16-26(24(27)29)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,25,28).
What are the key properties of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide?
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide has a molecular weight of 385.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide is sourced from PubChem (CID 50754409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).