3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide

C14H25NO2 — CID 87838465

IUPAC3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCC(CC=O)CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)10-13(17)15-12-6-4-11(5-7-12)8-9-16/h9,11-12H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyURXYFYAARDUTPF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.69
Rot. Bonds4

About 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide

3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide (PubChem CID 87838465) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide
PubChem CID87838465
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide
SMILESCC(C)(C)CC(=O)NC1CCC(CC=O)CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)10-13(17)15-12-6-4-11(5-7-12)8-9-16/h9,11-12H,4-8,10H2,1-3H3,(H,15,17)
InChIKeyURXYFYAARDUTPF-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide (CID 87838465) is 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide is CC(C)(C)CC(=O)NC1CCC(CC=O)CC1.
What is the InChIKey of 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide?
The InChIKey is URXYFYAARDUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)10-13(17)15-12-6-4-11(5-7-12)8-9-16/h9,11-12H,4-8,10H2,1-3H3,(H,15,17).
What are the key properties of 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide?
3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide has a molecular weight of 239.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(2-oxoethyl)cyclohexyl]butanamide is sourced from PubChem (CID 87838465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).