6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

C19H24N2O4 — CID 56816645

IUPAC6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-3-4-6-16(15)19(24)25/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyZXYVDQFDULFAIQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.68
Rot. Bonds6

About 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 56816645) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID56816645
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC(C)CNC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-3-4-6-16(15)19(24)25/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyZXYVDQFDULFAIQ-UHFFFAOYSA-N
XLogP2.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[4-(2-methylpropylcarbamoyl)phenyl]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-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 56816645) is 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is CC(C)CNC(=O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1.
What is the InChIKey of 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZXYVDQFDULFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-3-4-6-16(15)19(24)25/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylpropylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 56816645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).