N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide

C20H24N2O — CID 54784798

IUPACN-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
SMILESCCCCC/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-4-6-9-16(2)21-22-20(23)19-14-12-18(13-15-19)17-10-7-5-8-11-17/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,22,23)/b21-16+
InChIKeyNUKPURSKKXTULG-LTGZKZEYSA-N
MW308.43 g/mol
LogP5.04
Rot. Bonds7

About N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide

N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide (PubChem CID 54784798) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
PubChem CID54784798
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
SMILESCCCCC/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-4-6-9-16(2)21-22-20(23)19-14-12-18(13-15-19)17-10-7-5-8-11-17/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,22,23)/b21-16+
InChIKeyNUKPURSKKXTULG-LTGZKZEYSA-N
XLogP5.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-heptan-2-ylideneamino]-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

N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
N-[(E)-heptan-2-ylideneamino]-2-(4-phenylphenoxy)acetamide
CID 54784739
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
N-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755
N-[(E)-heptan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54784658
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide (CID 54784798) is N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide is CCCCC/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide?
The InChIKey is NUKPURSKKXTULG-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-4-6-9-16(2)21-22-20(23)19-14-12-18(13-15-19)17-10-7-5-8-11-17/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,22,23)/b21-16+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide?
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 54784798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).