3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide

C26H25N3O5 — CID 126002279

IUPAC3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O5/c1-32-22-16-19(17-23(33-2)24(22)34-3)25(30)28-21-14-8-7-13-20(21)26(31)29-27-15-9-12-18-10-5-4-6-11-18/h4-17H,1-3H3,(H,28,30)(H,29,31)/b12-9+,27-15-
InChIKeyCZSTZHNUCGZLTK-SUQIKTCDSA-N
MW459.50 g/mol
LogP4.39
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide

3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide (PubChem CID 126002279) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
PubChem CID126002279
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O5/c1-32-22-16-19(17-23(33-2)24(22)34-3)25(30)28-21-14-8-7-13-20(21)26(31)29-27-15-9-12-18-10-5-4-6-11-18/h4-17H,1-3H3,(H,28,30)(H,29,31)/b12-9+,27-15-
InChIKeyCZSTZHNUCGZLTK-SUQIKTCDSA-N
XLogP4.39
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]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

N-[2-[[(Z)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 137101903
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 126007946
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
[2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126003783
[4-bromo-2-[(Z)-[[2-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126006106
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
[4-bromo-2-[(Z)-[[2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126007217
N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide (CID 126002279) is 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide?
The InChIKey is CZSTZHNUCGZLTK-SUQIKTCDSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-32-22-16-19(17-23(33-2)24(22)34-3)25(30)28-21-14-8-7-13-20(21)26(31)29-27-15-9-12-18-10-5-4-6-11-18/h4-17H,1-3H3,(H,28,30)(H,29,31)/b12-9+,27-15-.
What are the key properties of 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide?
3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide has a molecular weight of 459.50 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).