2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide

C25H24N2O4 — CID 76859483

IUPAC2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-17-7-6-8-19(15-17)26-25(29)20-9-4-5-10-21(20)27-24(28)14-12-18-11-13-22(30-2)23(16-18)31-3/h4-16H,1-3H3,(H,26,29)(H,27,28)
InChIKeyHYLAQEYOIKFQKB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.92
Rot. Bonds7

About 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide

2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide (PubChem CID 76859483) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
PubChem CID76859483
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-17-7-6-8-19(15-17)26-25(29)20-9-4-5-10-21(20)27-24(28)14-12-18-11-13-22(30-2)23(16-18)31-3/h4-16H,1-3H3,(H,26,29)(H,27,28)
InChIKeyHYLAQEYOIKFQKB-UHFFFAOYSA-N
XLogP4.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.92
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

ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbenzamide
CID 34585271
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-prop-2-ynylbenzamide
CID 74334393
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520599
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 6234822
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 6234232
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide (CID 76859483) is 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide is COc1ccc(C=CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is HYLAQEYOIKFQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-7-6-8-19(15-17)26-25(29)20-9-4-5-10-21(20)27-24(28)14-12-18-11-13-22(30-2)23(16-18)31-3/h4-16H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide?
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 76859483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).