N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide

C12H21NO2 — CID 144530066

IUPACN,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCCCC1C(=O)N(C)C
InChIInChI=1S/C12H21NO2/c1-4-11(14)9-7-5-6-8-10(9)12(15)13(2)3/h9-10H,4-8H2,1-3H3
InChIKeySEUUETIVBKOCBY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds3

About N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide

N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide (PubChem CID 144530066) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
PubChem CID144530066
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
SMILESCCC(=O)C1CCCCC1C(=O)N(C)C
InChIInChI=1S/C12H21NO2/c1-4-11(14)9-7-5-6-8-10(9)12(15)13(2)3/h9-10H,4-8H2,1-3H3
InChIKeySEUUETIVBKOCBY-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
CID 144530099
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
N,N-dimethyl-2-(methylamino)cyclohexane-1-carboxamide
CID 163270148
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
CID 130638177
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
CID 143839933
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
cis-(1S,2R)-2-[methyl(2-methylbutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092372
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide (CID 144530066) is N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide is CCC(=O)C1CCCCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide?
The InChIKey is SEUUETIVBKOCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-11(14)9-7-5-6-8-10(9)12(15)13(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide?
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide is sourced from PubChem (CID 144530066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).