N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide

C11H19NO2 — CID 14507557

IUPACN,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide
SMILESCN(C)C(=O)CC1(C)CCCC(=O)C1
InChIInChI=1S/C11H19NO2/c1-11(8-10(14)12(2)3)6-4-5-9(13)7-11/h4-8H2,1-3H3
InChIKeyCBQQYNFBTSGQGF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds2

About N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide

N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide (PubChem CID 14507557) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide
PubChem CID14507557
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide
SMILESCN(C)C(=O)CC1(C)CCCC(=O)C1
InChIInChI=1S/C11H19NO2/c1-11(8-10(14)12(2)3)6-4-5-9(13)7-11/h4-8H2,1-3H3
InChIKeyCBQQYNFBTSGQGF-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide?
The IUPAC name of N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide (CID 14507557) is N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide is CN(C)C(=O)CC1(C)CCCC(=O)C1.
What is the InChIKey of N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide?
The InChIKey is CBQQYNFBTSGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(8-10(14)12(2)3)6-4-5-9(13)7-11/h4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide?
N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide has a molecular weight of 197.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide is sourced from PubChem (CID 14507557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).