2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide

C17H15NO3 — CID 11558225

IUPAC2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-15-10-6-5-9-14(15)17(20)18-16(19)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,18,19,20)/b12-11+
InChIKeyGJLLTYZKSYCMSR-VAWYXSNFSA-N
MW281.31 g/mol
LogP2.66
Rot. Bonds4

About 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide

2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide (PubChem CID 11558225) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
PubChem CID11558225
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-15-10-6-5-9-14(15)17(20)18-16(19)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,18,19,20)/b12-11+
InChIKeyGJLLTYZKSYCMSR-VAWYXSNFSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide 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

2-Ethoxybenzamide
CID 3282
2H-1,3-Benzoxazine-2,4(3H)-dione
CID 16258
2-Methoxybenzamide
CID 75540
Exalamide
CID 3316
Salacetamide
CID 10252
o-Anisohydrazide
CID 24051
2-hydroxy-N-(4-propylbenzoyl)benzamide
CID 2815186
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
2-(3-Buten-1-yloxy)benzamide
CID 2728050
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide (CID 11558225) is 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide is COc1ccccc1C(=O)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The InChIKey is GJLLTYZKSYCMSR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-15-10-6-5-9-14(15)17(20)18-16(19)12-11-13-7-3-2-4-8-13/h2-12H,1H3,(H,18,19,20)/b12-11+.
What are the key properties of 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide?
2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-3-phenylprop-2-enoyl]benzamide is sourced from PubChem (CID 11558225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).