(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide

C27H26N2O2 — CID 108750545

IUPAC(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C(=O)NCCn2ccc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-2-31-24-14-12-21(13-15-24)20-25(22-8-4-3-5-9-22)27(30)28-17-19-29-18-16-23-10-6-7-11-26(23)29/h3-16,18,20H,2,17,19H2,1H3,(H,28,30)/b25-20+
InChIKeyHKXMZODJPRCWJK-LKUDQCMESA-N
MW410.52 g/mol
LogP5.40
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide (PubChem CID 108750545) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide
PubChem CID108750545
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C(=O)NCCn2ccc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-2-31-24-14-12-21(13-15-24)20-25(22-8-4-3-5-9-22)27(30)28-17-19-29-18-16-23-10-6-7-11-26(23)29/h3-16,18,20H,2,17,19H2,1H3,(H,28,30)/b25-20+
InChIKeyHKXMZODJPRCWJK-LKUDQCMESA-N
XLogP5.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28576235
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
CID 108726376
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42910684
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxyphenyl)-2-phenylprop-2-enamide
CID 108760549
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108771112
(E)-3-(4-ethoxyphenyl)-2-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770790

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide (CID 108750545) is (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide is CCOc1ccc(/C=C(/C(=O)NCCn2ccc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide?
The InChIKey is HKXMZODJPRCWJK-LKUDQCMESA-N. The full InChI is InChI=1S/C27H26N2O2/c1-2-31-24-14-12-21(13-15-24)20-25(22-8-4-3-5-9-22)27(30)28-17-19-29-18-16-23-10-6-7-11-26(23)29/h3-16,18,20H,2,17,19H2,1H3,(H,28,30)/b25-20+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide has a molecular weight of 410.52 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 108750545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).