1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone

C12H24N2O2 — CID 62332976

IUPAC1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-11(15)9-13(2)10-12(16)14-7-5-3-4-6-8-14/h11,15H,3-10H2,1-2H3
InChIKeyOPBGTRLDSIYWSM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds4

About 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone

1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone (PubChem CID 62332976) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
PubChem CID62332976
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O2/c1-11(15)9-13(2)10-12(16)14-7-5-3-4-6-8-14/h11,15H,3-10H2,1-2H3
InChIKeyOPBGTRLDSIYWSM-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone 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-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 156723729
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588688
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone (CID 62332976) is 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone is CC(O)CN(C)CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The InChIKey is OPBGTRLDSIYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(15)9-13(2)10-12(16)14-7-5-3-4-6-8-14/h11,15H,3-10H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 62332976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).