2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide

C12H22N2O2 — CID 104750391

IUPAC2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)C1CCCC1)CC(=O)N(C)C
InChIInChI=1S/C12H22N2O2/c1-13(2)12(16)9-14(3)8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyQXQQIIGBKYNOAR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds5

About 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide

2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide (PubChem CID 104750391) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
PubChem CID104750391
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)C1CCCC1)CC(=O)N(C)C
InChIInChI=1S/C12H22N2O2/c1-13(2)12(16)9-14(3)8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyQXQQIIGBKYNOAR-UHFFFAOYSA-N
XLogP0.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
CID 138966505
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
CID 106916459
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 104750523
1-cyclohexyl-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 104750044

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide (CID 104750391) is 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide is CN(CC(=O)C1CCCC1)CC(=O)N(C)C.
What is the InChIKey of 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is QXQQIIGBKYNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13(2)12(16)9-14(3)8-11(15)10-6-4-5-7-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide?
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104750391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).