N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide

C12H21NO2 — CID 143959726

IUPACN-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
SMILESCC(=O)C1CCC(CN(C)C(C)=O)CC1
InChIInChI=1S/C12H21NO2/c1-9(14)12-6-4-11(5-7-12)8-13(3)10(2)15/h11-12H,4-8H2,1-3H3
InChIKeyCEDXADVPKYDBPT-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds3

About N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide

N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide (PubChem CID 143959726) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
PubChem CID143959726
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
SMILESCC(=O)C1CCC(CN(C)C(C)=O)CC1
InChIInChI=1S/C12H21NO2/c1-9(14)12-6-4-11(5-7-12)8-13(3)10(2)15/h11-12H,4-8H2,1-3H3
InChIKeyCEDXADVPKYDBPT-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

N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide
CID 154687930
N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
CID 176553120
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71304532
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
1-(4-pentylcyclohexyl)ethanone
CID 13278013
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide (CID 143959726) is N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide is CC(=O)C1CCC(CN(C)C(C)=O)CC1.
What is the InChIKey of N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide?
The InChIKey is CEDXADVPKYDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(14)12-6-4-11(5-7-12)8-13(3)10(2)15/h11-12H,4-8H2,1-3H3.
What are the key properties of N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide?
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide 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-[(4-acetylcyclohexyl)methyl]-N-methylacetamide is sourced from PubChem (CID 143959726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).