(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide

C24H26N2O — CID 59031329

IUPAC(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
SMILESCc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+
InChIKeyUTMYVLGKUKZOLW-CSKARUKUSA-N
MW358.49 g/mol
LogP5.52
Rot. Bonds4

About (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide

(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide (PubChem CID 59031329) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
PubChem CID59031329
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
SMILESCc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+
InChIKeyUTMYVLGKUKZOLW-CSKARUKUSA-N
XLogP5.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-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 (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide (CID 59031329) is (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide is Cc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The InChIKey is UTMYVLGKUKZOLW-CSKARUKUSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+.
What are the key properties of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide is sourced from PubChem (CID 59031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).