N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C25H23N3O4 — CID 126006946

IUPACN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C25H23N3O4/c1-31-20-14-13-19(23(16-20)32-2)17-26-28-25(30)21-10-6-7-11-22(21)27-24(29)15-12-18-8-4-3-5-9-18/h3-17H,1-2H3,(H,27,29)(H,28,30)/b15-12+,26-17-
InChIKeyXUNCMLWSMKQYOA-FTDKWWBHSA-N
MW429.48 g/mol
LogP4.12
Rot. Bonds8

About N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 126006946) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID126006946
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C25H23N3O4/c1-31-20-14-13-19(23(16-20)32-2)17-26-28-25(30)21-10-6-7-11-22(21)27-24(29)15-12-18-8-4-3-5-9-18/h3-17H,1-2H3,(H,27,29)(H,28,30)/b15-12+,26-17-
InChIKeyXUNCMLWSMKQYOA-FTDKWWBHSA-N
XLogP4.12
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
[4-bromo-2-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126006106
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
[2-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126003248
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126003105

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 126006946) is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is COc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is XUNCMLWSMKQYOA-FTDKWWBHSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-20-14-13-19(23(16-20)32-2)17-26-28-25(30)21-10-6-7-11-22(21)27-24(29)15-12-18-8-4-3-5-9-18/h3-17H,1-2H3,(H,27,29)(H,28,30)/b15-12+,26-17-.
What are the key properties of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 126006946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).