2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

C24H21N3O2 — CID 126007946

IUPAC2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-13-15-20(16-14-18)23(28)26-22-12-6-5-11-21(22)24(29)27-25-17-7-10-19-8-3-2-4-9-19/h2-17H,1H3,(H,26,28)(H,27,29)/b10-7+,25-17-
InChIKeyHUJDGUIPGDVPCX-WREQSARCSA-N
MW383.45 g/mol
LogP4.68
Rot. Bonds6

About 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 126007946) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID126007946
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-13-15-20(16-14-18)23(28)26-22-12-6-5-11-21(22)24(29)27-25-17-7-10-19-8-3-2-4-9-19/h2-17H,1H3,(H,26,28)(H,27,29)/b10-7+,25-17-
InChIKeyHUJDGUIPGDVPCX-WREQSARCSA-N
XLogP4.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 126002279
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
4-(3-methylbutanoylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234592
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6283942
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
4-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]benzamide
CID 92529886
4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234587

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 126007946) is 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C\C=C\c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is HUJDGUIPGDVPCX-WREQSARCSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-18-13-15-20(16-14-18)23(28)26-22-12-6-5-11-21(22)24(29)27-25-17-7-10-19-8-3-2-4-9-19/h2-17H,1H3,(H,26,28)(H,27,29)/b10-7+,25-17-.
What are the key properties of 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 126007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).