N-cyclohexyl-N,3-dimethylbutanamide

C12H23NO — CID 13061418

IUPACN-cyclohexyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)9-12(14)13(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeySZYDWNMMLAZULC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds3

About N-cyclohexyl-N,3-dimethylbutanamide

N-cyclohexyl-N,3-dimethylbutanamide (PubChem CID 13061418) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethylbutanamide
PubChem CID13061418
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclohexyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)9-12(14)13(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeySZYDWNMMLAZULC-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethylbutanamide?
The IUPAC name of N-cyclohexyl-N,3-dimethylbutanamide (CID 13061418) is N-cyclohexyl-N,3-dimethylbutanamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethylbutanamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,3-dimethylbutanamide?
The InChIKey is SZYDWNMMLAZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-12(14)13(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N,3-dimethylbutanamide?
N-cyclohexyl-N,3-dimethylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethylbutanamide is sourced from PubChem (CID 13061418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).