4-cyclohexyl-N,N-dimethyl-4-oxobutanamide

C12H21NO2 — CID 138966505

IUPAC4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-13(2)12(15)9-8-11(14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyQYIDJQHREJYYKB-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds4

About 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide

4-cyclohexyl-N,N-dimethyl-4-oxobutanamide (PubChem CID 138966505) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
PubChem CID138966505
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)C1CCCCC1
InChIInChI=1S/C12H21NO2/c1-13(2)12(15)9-8-11(14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyQYIDJQHREJYYKB-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide (CID 138966505) is 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC(=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide?
The InChIKey is QYIDJQHREJYYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(2)12(15)9-8-11(14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide?
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide has a molecular weight of 211.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 138966505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).