4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one

C14H20N2O — CID 171834808

IUPAC4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
SMILESCCc1ccc(N2CCN(C)CCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)16-11-10-15(2)9-8-14(16)17/h4-7H,3,8-11H2,1-2H3
InChIKeyBNPQABTWVDQGPO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds2

About 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one

4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one (PubChem CID 171834808) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
PubChem CID171834808
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
SMILESCCc1ccc(N2CCN(C)CCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)16-11-10-15(2)9-8-14(16)17/h4-7H,3,8-11H2,1-2H3
InChIKeyBNPQABTWVDQGPO-UHFFFAOYSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-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

4-(4-aminophenyl)-1-methyl-1,4-diazepan-5-one
CID 83706631
4-(4-ethylphenyl)-1-methyl-3-methylidenepiperazin-2-one
CID 142243536
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
CID 153379478
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
(3S)-1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92765110
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
CID 170633594
1-(4-ethylphenyl)-2-methylidenepyrrolidine
CID 155197787
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[4-(2,3-dihydro-1H-inden-2-ylmethyl)phenyl]azetidin-2-one
CID 71583395

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one?
The IUPAC name of 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one (CID 171834808) is 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one?
The canonical SMILES for 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one is CCc1ccc(N2CCN(C)CCC2=O)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one?
The InChIKey is BNPQABTWVDQGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-12-4-6-13(7-5-12)16-11-10-15(2)9-8-14(16)17/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one?
4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one has a molecular weight of 232.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 171834808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).