3-benzyl-4-ethyl-1,4-diazepan-2-one

C14H20N2O — CID 146122720

IUPAC3-benzyl-4-ethyl-1,4-diazepan-2-one
SMILESCCN1CCCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-16-10-6-9-15-14(17)13(16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,15,17)
InChIKeySRSPNDHTYHWZIQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.44
Rot. Bonds3

About 3-benzyl-4-ethyl-1,4-diazepan-2-one

3-benzyl-4-ethyl-1,4-diazepan-2-one (PubChem CID 146122720) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-benzyl-4-ethyl-1,4-diazepan-2-one
PubChem CID146122720
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-benzyl-4-ethyl-1,4-diazepan-2-one
SMILESCCN1CCCNC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-16-10-6-9-15-14(17)13(16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,15,17)
InChIKeySRSPNDHTYHWZIQ-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-4-ethyl-1,4-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

3-benzyl-4-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,4-diazepan-2-one
CID 136545110
(3S)-3-benzyl-4-(3-methylsulfanylpropyl)piperazin-2-one
CID 77091485
(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one
CID 77093362
4-[(2-benzyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122021973
2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 50956096
(3R)-3-benzyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one
CID 125143869
5-[2-[(2S)-2-benzyl-3-oxopiperazin-1-yl]ethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 124906689
3-benzyl-4-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)-1,4-diazepan-2-one
CID 138004597
(3S)-3-benzyl-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 125144222
3-benzyl-1,4-diazepan-2-one
CID 78068532
(3S)-3-benzyl-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperazin-2-one
CID 77094113
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethyl-1,4-diazepan-2-one?
The IUPAC name of 3-benzyl-4-ethyl-1,4-diazepan-2-one (CID 146122720) is 3-benzyl-4-ethyl-1,4-diazepan-2-one.
What is the SMILES notation for 3-benzyl-4-ethyl-1,4-diazepan-2-one?
The canonical SMILES for 3-benzyl-4-ethyl-1,4-diazepan-2-one is CCN1CCCNC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-1,4-diazepan-2-one?
The InChIKey is SRSPNDHTYHWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16-10-6-9-15-14(17)13(16)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,15,17).
What are the key properties of 3-benzyl-4-ethyl-1,4-diazepan-2-one?
3-benzyl-4-ethyl-1,4-diazepan-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-1,4-diazepan-2-one is sourced from PubChem (CID 146122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).