N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide

C24H24N2O — CID 4581663

IUPACN-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
SMILESCC(C)CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(2)17-23(21-11-7-4-8-12-21)25-26-24(27)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,26,27)
InChIKeyAHFKIJOFRWFHAG-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.53
Rot. Bonds6

About N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide

N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide (PubChem CID 4581663) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
PubChem CID4581663
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
SMILESCC(C)CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(2)17-23(21-11-7-4-8-12-21)25-26-24(27)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,26,27)
InChIKeyAHFKIJOFRWFHAG-UHFFFAOYSA-N
XLogP5.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.53
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'}

Analyze N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
CID 86037517
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
N-(pentan-3-ylideneamino)benzamide
CID 4611553

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide?
The IUPAC name of N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide (CID 4581663) is N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide.
What is the SMILES notation for N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide?
The canonical SMILES for N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide is CC(C)CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide?
The InChIKey is AHFKIJOFRWFHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18(2)17-23(21-11-7-4-8-12-21)25-26-24(27)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,26,27).
What are the key properties of N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide?
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide is sourced from PubChem (CID 4581663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).