N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide

C12H15NO2 — CID 129353993

IUPACN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccc(/C=C/CNC(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-10(14)13-9-3-4-11-5-7-12(15-2)8-6-11/h3-8H,9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyOAYTUWABQGOYHE-ONEGZZNKSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds4

About N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 129353993) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID129353993
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccc(/C=C/CNC(C)=O)cc1
InChIInChI=1S/C12H15NO2/c1-10(14)13-9-3-4-11-5-7-12(15-2)8-6-11/h3-8H,9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyOAYTUWABQGOYHE-ONEGZZNKSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide 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

methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl 4-(3-acetamidoprop-1-enyl)-2-aminobenzoate
CID 169466105
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide (CID 129353993) is N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide is COc1ccc(/C=C/CNC(C)=O)cc1.
What is the InChIKey of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is OAYTUWABQGOYHE-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(14)13-9-3-4-11-5-7-12(15-2)8-6-11/h3-8H,9H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide?
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 129353993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).