(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide

C24H26N2O2 — CID 44591420

IUPAC(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)14-16-28-21-10-7-19(8-11-21)9-12-24(27)25-15-13-20-17-26-23-6-4-3-5-22(20)23/h3-12,14,17,26H,13,15-16H2,1-2H3,(H,25,27)/b12-9+
InChIKeyOYZLSDSQSGHYJT-FMIVXFBMSA-N
MW374.48 g/mol
LogP4.89
Rot. Bonds8

About (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide

(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide (PubChem CID 44591420) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide
PubChem CID44591420
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)14-16-28-21-10-7-19(8-11-21)9-12-24(27)25-15-13-20-17-26-23-6-4-3-5-22(20)23/h3-12,14,17,26H,13,15-16H2,1-2H3,(H,25,27)/b12-9+
InChIKeyOYZLSDSQSGHYJT-FMIVXFBMSA-N
XLogP4.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]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-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide (CID 44591420) is (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide is CC(C)=CCOc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide?
The InChIKey is OYZLSDSQSGHYJT-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(2)14-16-28-21-10-7-19(8-11-21)9-12-24(27)25-15-13-20-17-26-23-6-4-3-5-22(20)23/h3-12,14,17,26H,13,15-16H2,1-2H3,(H,25,27)/b12-9+.
What are the key properties of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide?
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide has a molecular weight of 374.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 44591420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).