N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide

C28H24N2O — CID 54785301

IUPACN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O/c1-21(27(24-13-7-3-8-14-24)25-15-9-4-10-16-25)29-30-28(31)26-19-17-23(18-20-26)22-11-5-2-6-12-22/h2-20,27H,1H3,(H,30,31)/b29-21+
InChIKeyDYIZMZAGSOCQAN-XHLNEMQHSA-N
MW404.51 g/mol
LogP6.29
Rot. Bonds6

About N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide

N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide (PubChem CID 54785301) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
PubChem CID54785301
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC NameN-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O/c1-21(27(24-13-7-3-8-14-24)25-15-9-4-10-16-25)29-30-28(31)26-19-17-23(18-20-26)22-11-5-2-6-12-22/h2-20,27H,1H3,(H,30,31)/b29-21+
InChIKeyDYIZMZAGSOCQAN-XHLNEMQHSA-N
XLogP6.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
ethyl (2S)-2-[(E)-C-methyl-N-[(4-phenylbenzoyl)amino]carbonimidoyl]pentanoate
CID 98075591
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
[(E)-1,1-diphenylpropan-2-ylideneamino]thiourea
CID 54785271

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide (CID 54785301) is N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide is C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide?
The InChIKey is DYIZMZAGSOCQAN-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H24N2O/c1-21(27(24-13-7-3-8-14-24)25-15-9-4-10-16-25)29-30-28(31)26-19-17-23(18-20-26)22-11-5-2-6-12-22/h2-20,27H,1H3,(H,30,31)/b29-21+.
What are the key properties of N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide?
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 54785301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).