4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one

C17H24N2O2 — CID 102889589

IUPAC4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCc1ccc(C(=O)C(C)N2CCCN(C)C(=O)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-4-14-6-8-15(9-7-14)17(21)13(2)19-11-5-10-18(3)16(20)12-19/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyAALDHXNKAZZQCF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds4

About 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one

4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102889589) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102889589
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCc1ccc(C(=O)C(C)N2CCCN(C)C(=O)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-4-14-6-8-15(9-7-14)17(21)13(2)19-11-5-10-18(3)16(20)12-19/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyAALDHXNKAZZQCF-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-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

2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
1-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-5-one
CID 63003643
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 82752916
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
CID 63601850

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one (CID 102889589) is 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one is CCc1ccc(C(=O)C(C)N2CCCN(C)C(=O)C2)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is AALDHXNKAZZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14-6-8-15(9-7-14)17(21)13(2)19-11-5-10-18(3)16(20)12-19/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one?
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).