6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C17H27NO3 — CID 17384780

IUPAC6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CC(NC(=O)C2CC=CCC2C(=O)O)CC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-11-8-12(10-17(2,3)9-11)18-15(19)13-6-4-5-7-14(13)16(20)21/h4-5,11-14H,6-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySUMAGSKXLZKFKL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds3

About 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 17384780) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID17384780
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CC(NC(=O)C2CC=CCC2C(=O)O)CC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-11-8-12(10-17(2,3)9-11)18-15(19)13-6-4-5-7-14(13)16(20)21/h4-5,11-14H,6-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySUMAGSKXLZKFKL-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid 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 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 17384780) is 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CC1CC(NC(=O)C2CC=CCC2C(=O)O)CC(C)(C)C1.
What is the InChIKey of 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is SUMAGSKXLZKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-8-12(10-17(2,3)9-11)18-15(19)13-6-4-5-7-14(13)16(20)21/h4-5,11-14H,6-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3,5-trimethylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 17384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).