3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide

C13H24N2O2 — CID 106916459

IUPAC3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-14-13(17)8-9-15(2)10-12(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeySCRQUKBSUZHSLS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds6

About 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide

3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide (PubChem CID 106916459) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
PubChem CID106916459
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-14-13(17)8-9-15(2)10-12(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeySCRQUKBSUZHSLS-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-[methyl(propyl)amino]ethanone
CID 104750008
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
2-[(2-cyclopentyl-2-oxoethyl)-methylamino]-N,N-dimethylacetamide
CID 104750391
1-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 104750928
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
1-cyclohexyl-2-[methyl(propan-2-yl)amino]ethanone
CID 104749946
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide (CID 106916459) is 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(=O)C1CCCCC1.
What is the InChIKey of 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide?
The InChIKey is SCRQUKBSUZHSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-13(17)8-9-15(2)10-12(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide?
3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexyl-2-oxoethyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).