(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide

C13H18N2O2 — CID 6439562

IUPAC(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESNCCCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+
InChIKeyCJHDBEPXEKGBDW-VMPITWQZSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds6

About (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 6439562) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID6439562
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESNCCCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+
InChIKeyCJHDBEPXEKGBDW-VMPITWQZSA-N
XLogP1.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
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-(4-aminobutyl)-3-(4-hydroxyphenyl)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-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 6439562) is (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide is NCCCCNC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is CJHDBEPXEKGBDW-VMPITWQZSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+.
What are the key properties of (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 6439562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).