2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide

C18H18N2O3 — CID 17428682

IUPAC2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C18H18N2O3/c1-12-7-9-16(23-2)13(11-12)8-10-17(21)20-15-6-4-3-5-14(15)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-8+
InChIKeyPQGWFBVOHZWGAO-CSKARUKUSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 17428682) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
PubChem CID17428682
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C18H18N2O3/c1-12-7-9-16(23-2)13(11-12)8-10-17(21)20-15-6-4-3-5-14(15)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-8+
InChIKeyPQGWFBVOHZWGAO-CSKARUKUSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]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-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
methyl 3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 7669545
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide (CID 17428682) is 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide is COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is PQGWFBVOHZWGAO-CSKARUKUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-9-16(23-2)13(11-12)8-10-17(21)20-15-6-4-3-5-14(15)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-8+.
What are the key properties of 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 17428682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).