4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide

C24H21N3O2 — CID 4510499

IUPAC4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18(28)25-22-15-13-21(14-16-22)24(29)27-26-23(20-10-6-3-7-11-20)17-12-19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28)(H,27,29)
InChIKeyRPODNDZKQYIPEL-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.49
Rot. Bonds6

About 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide

4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide (PubChem CID 4510499) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
PubChem CID4510499
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18(28)25-22-15-13-21(14-16-22)24(29)27-26-23(20-10-6-3-7-11-20)17-12-19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28)(H,27,29)
InChIKeyRPODNDZKQYIPEL-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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

N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3384778
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
(E)-N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide
CID 6122724
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The IUPAC name of 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide (CID 4510499) is 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide.
What is the SMILES notation for 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The canonical SMILES for 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide is CC(=O)Nc1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
The InChIKey is RPODNDZKQYIPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-18(28)25-22-15-13-21(14-16-22)24(29)27-26-23(20-10-6-3-7-11-20)17-12-19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28)(H,27,29).
What are the key properties of 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide?
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide is sourced from PubChem (CID 4510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).