4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide

C18H18N2O4 — CID 717538

IUPAC4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(21)20-14-7-5-13(6-8-14)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-4+
InChIKeyINQBZYLHWWQYLR-ONNFQVAWSA-N
MW326.35 g/mol
LogP2.45
Rot. Bonds6

About 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide

4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 717538) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID717538
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(21)20-14-7-5-13(6-8-14)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-4+
InChIKeyINQBZYLHWWQYLR-ONNFQVAWSA-N
XLogP2.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-Methoxy-N-(3-methylphenyl)benzamide
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3,4,5-Trimethoxybenzanilide
CID 305103
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4-amino-N-(2-methoxyphenyl)benzamide
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Avenanthramide E
CID 10245047
N-(2-fluorophenyl)-3-methoxybenzamide
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CID 11131951

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 717538) is 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide is COc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is INQBZYLHWWQYLR-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(21)20-14-7-5-13(6-8-14)18(19)22/h3-11H,1-2H3,(H2,19,22)(H,20,21)/b10-4+.
What are the key properties of 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide?
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 717538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).