(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide

C23H26N2O2 — CID 166162428

IUPAC(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)/C=C/c1ccc2c(ccn2CC)c1
InChIInChI=1S/C23H26N2O2/c1-3-5-16-27-22-9-7-6-8-20(22)24-23(26)13-11-18-10-12-21-19(17-18)14-15-25(21)4-2/h6-15,17H,3-5,16H2,1-2H3,(H,24,26)/b13-11+
InChIKeyMIDAHOHLJUMBEP-ACCUITESSA-N
MW362.47 g/mol
LogP5.49
Rot. Bonds8

About (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide

(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide (PubChem CID 166162428) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide
PubChem CID166162428
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)/C=C/c1ccc2c(ccn2CC)c1
InChIInChI=1S/C23H26N2O2/c1-3-5-16-27-22-9-7-6-8-20(22)24-23(26)13-11-18-10-12-21-19(17-18)14-15-25(21)4-2/h6-15,17H,3-5,16H2,1-2H3,(H,24,26)/b13-11+
InChIKeyMIDAHOHLJUMBEP-ACCUITESSA-N
XLogP5.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)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

Related Compounds

(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
3-(3-bromo-4-methoxyphenyl)-N-(2-butoxyphenyl)prop-2-enamide
CID 3609186
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-N-(2-butoxyphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 52707582
(E)-3-(3-butoxy-4-methoxyphenyl)-N-(2-formylphenyl)prop-2-enamide
CID 89064875
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 46534246
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide (CID 166162428) is (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide is CCCCOc1ccccc1NC(=O)/C=C/c1ccc2c(ccn2CC)c1.
What is the InChIKey of (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide?
The InChIKey is MIDAHOHLJUMBEP-ACCUITESSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-5-16-27-22-9-7-6-8-20(22)24-23(26)13-11-18-10-12-21-19(17-18)14-15-25(21)4-2/h6-15,17H,3-5,16H2,1-2H3,(H,24,26)/b13-11+.
What are the key properties of (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide?
(E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide has a molecular weight of 362.47 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-butoxyphenyl)-3-(1-ethylindol-5-yl)prop-2-enamide is sourced from PubChem (CID 166162428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).