(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

C23H26N2O3 — CID 90677066

IUPAC(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCCO)cc1
InChIInChI=1S/C23H26N2O3/c1-18-17-20-5-2-3-6-22(20)25(18)14-13-24-23(27)12-9-19-7-10-21(11-8-19)28-16-4-15-26/h2-3,5-12,17,26H,4,13-16H2,1H3,(H,24,27)/b12-9+
InChIKeyGLYAMHADSLHILT-FMIVXFBMSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds9

About (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 90677066) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID90677066
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCCO)cc1
InChIInChI=1S/C23H26N2O3/c1-18-17-20-5-2-3-6-22(20)25(18)14-13-24-23(27)12-9-19-7-10-21(11-8-19)28-16-4-15-26/h2-3,5-12,17,26H,4,13-16H2,1H3,(H,24,27)/b12-9+
InChIKeyGLYAMHADSLHILT-FMIVXFBMSA-N
XLogP3.54
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 90677066) is (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCCO)cc1.
What is the InChIKey of (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is GLYAMHADSLHILT-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18-17-20-5-2-3-6-22(20)25(18)14-13-24-23(27)12-9-19-7-10-21(11-8-19)28-16-4-15-26/h2-3,5-12,17,26H,4,13-16H2,1H3,(H,24,27)/b12-9+.
What are the key properties of (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 378.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-hydroxypropoxy)phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 90677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).