4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one

C11H21N3O2 — CID 65366124

IUPAC4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
SMILESCCNCC(C)C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-3-12-7-9(2)11(16)14-6-4-5-13-10(15)8-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyXHUZVNRSVUXBJR-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.42
Rot. Bonds4

About 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one

4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one (PubChem CID 65366124) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
PubChem CID65366124
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
SMILESCCNCC(C)C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-3-12-7-9(2)11(16)14-6-4-5-13-10(15)8-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyXHUZVNRSVUXBJR-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(ethylamino)-2-methylpropanoyl]-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

1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224
4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
1-(4-acetyl-1,4-diazepan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62839640
[4-methylsulfanyl-1-oxo-1-(3-oxo-1,4-diazepan-1-yl)butan-2-yl]urea
CID 62897597
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
(2S)-4-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363653
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-(2,2-dimethylbutanoyl)-1,4-diazepan-2-one
CID 62897191
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one (CID 65366124) is 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one is CCNCC(C)C(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one?
The InChIKey is XHUZVNRSVUXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-12-7-9(2)11(16)14-6-4-5-13-10(15)8-14/h9,12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one?
4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65366124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).