N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide

C14H25NO2 — CID 65119283

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-6-12(16)15-11-14(17)9-7-13(2,3)8-10-14/h4,17H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyZBWKQLBSBTWHFW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.40
Rot. Bonds5

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide (PubChem CID 65119283) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
PubChem CID65119283
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H25NO2/c1-4-5-6-12(16)15-11-14(17)9-7-13(2,3)8-10-14/h4,17H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyZBWKQLBSBTWHFW-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide (CID 65119283) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide is C=CCCC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide?
The InChIKey is ZBWKQLBSBTWHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-12(16)15-11-14(17)9-7-13(2,3)8-10-14/h4,17H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pent-4-enamide is sourced from PubChem (CID 65119283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).