(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide

C17H25NO2 — CID 56967546

IUPAC(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCC(CCC)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H25NO2/c1-4-6-15(7-5-2)18-17(19)13-10-14-8-11-16(20-3)12-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,19)/b13-10+
InChIKeyFDALLDBIRFEWSC-JLHYYAGUSA-N
MW275.39 g/mol
LogP3.79
Rot. Bonds8

About (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 56967546) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID56967546
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCCC(CCC)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H25NO2/c1-4-6-15(7-5-2)18-17(19)13-10-14-8-11-16(20-3)12-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,19)/b13-10+
InChIKeyFDALLDBIRFEWSC-JLHYYAGUSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-heptan-4-yl-3-(4-methoxyphenyl)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

4-Methoxymethamphetamine
CID 90766
N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
N-(4-methoxyphenethyl)benzamide
CID 3083797
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
Tmppaa
CID 889955
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
4-Methoxymethamphetamine, (R)-
CID 40463419
1-(m-Methoxycinnamoyl)pyrrolidine
CID 5373710
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
N-(3-(3-methoxyphenyl)-3-phenylallyl)acetamide
CID 16094584
N-(3-(3-methoxyphenyl)propyl)propionamide
CID 10104923
N-(4-methoxybenzyl)oleamide
CID 11502240

Frequently Asked Questions

What is the IUPAC name of (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide (CID 56967546) is (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide is CCCC(CCC)NC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is FDALLDBIRFEWSC-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-6-15(7-5-2)18-17(19)13-10-14-8-11-16(20-3)12-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,19)/b13-10+.
What are the key properties of (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-heptan-4-yl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 56967546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).