3,5-diacetamido-N-(benzhydrylideneamino)benzamide

C24H22N4O3 — CID 46554386

IUPAC3,5-diacetamido-N-(benzhydrylideneamino)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N4O3/c1-16(29)25-21-13-20(14-22(15-21)26-17(2)30)24(31)28-27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyAGFMWGSZITXFSI-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.79
Rot. Bonds6

About 3,5-diacetamido-N-(benzhydrylideneamino)benzamide

3,5-diacetamido-N-(benzhydrylideneamino)benzamide (PubChem CID 46554386) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3,5-diacetamido-N-(benzhydrylideneamino)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(benzhydrylideneamino)benzamide
PubChem CID46554386
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3,5-diacetamido-N-(benzhydrylideneamino)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N4O3/c1-16(29)25-21-13-20(14-22(15-21)26-17(2)30)24(31)28-27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,25,29)(H,26,30)(H,28,31)
InChIKeyAGFMWGSZITXFSI-UHFFFAOYSA-N
XLogP3.79
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,5-dibenzamido-N-phenylbenzamide
CID 17340966
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
CID 3090062
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(benzhydrylideneamino)benzamide?
The IUPAC name of 3,5-diacetamido-N-(benzhydrylideneamino)benzamide (CID 46554386) is 3,5-diacetamido-N-(benzhydrylideneamino)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(benzhydrylideneamino)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(benzhydrylideneamino)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3,5-diacetamido-N-(benzhydrylideneamino)benzamide?
The InChIKey is AGFMWGSZITXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16(29)25-21-13-20(14-22(15-21)26-17(2)30)24(31)28-27-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,25,29)(H,26,30)(H,28,31).
What are the key properties of 3,5-diacetamido-N-(benzhydrylideneamino)benzamide?
3,5-diacetamido-N-(benzhydrylideneamino)benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(benzhydrylideneamino)benzamide is sourced from PubChem (CID 46554386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).