N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide

C29H30N2O — CID 42696142

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCC(C(=O)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C29H30N2O/c1-2-26(24-15-7-4-8-16-24)29(32)31(20-11-14-23-12-5-3-6-13-23)21-19-25-22-30-28-18-10-9-17-27(25)28/h3-18,22,26,30H,2,19-21H2,1H3/b14-11+
InChIKeyJMJLYBLIJQHVMS-SDNWHVSQSA-N
MW422.57 g/mol
LogP6.45
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide

N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide (PubChem CID 42696142) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
PubChem CID42696142
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
SMILESCCC(C(=O)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C29H30N2O/c1-2-26(24-15-7-4-8-16-24)29(32)31(20-11-14-23-12-5-3-6-13-23)21-19-25-22-30-28-18-10-9-17-27(25)28/h3-18,22,26,30H,2,19-21H2,1H3/b14-11+
InChIKeyJMJLYBLIJQHVMS-SDNWHVSQSA-N
XLogP6.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide 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-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide (CID 42696142) is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide is CCC(C(=O)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
The InChIKey is JMJLYBLIJQHVMS-SDNWHVSQSA-N. The full InChI is InChI=1S/C29H30N2O/c1-2-26(24-15-7-4-8-16-24)29(32)31(20-11-14-23-12-5-3-6-13-23)21-19-25-22-30-28-18-10-9-17-27(25)28/h3-18,22,26,30H,2,19-21H2,1H3/b14-11+.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide?
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide has a molecular weight of 422.57 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 42696142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).