N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide

C18H18N2O2 — CID 2834282

IUPACN-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
SMILESCC(=O)CC(C)=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(12-14(2)21)19-20-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyVLAQZNDZNKKEQW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.44
Rot. Bonds5

About N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide

N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide (PubChem CID 2834282) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
PubChem CID2834282
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
SMILESCC(=O)CC(C)=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(12-14(2)21)19-20-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyVLAQZNDZNKKEQW-UHFFFAOYSA-N
XLogP3.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
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)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
CID 6112093
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614

Frequently Asked Questions

What is the IUPAC name of N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide?
The IUPAC name of N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide (CID 2834282) is N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide.
What is the SMILES notation for N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide?
The canonical SMILES for N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide is CC(=O)CC(C)=NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide?
The InChIKey is VLAQZNDZNKKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(12-14(2)21)19-20-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide?
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide is sourced from PubChem (CID 2834282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).