N-(heptan-4-ylideneamino)-4-phenylbenzamide

C20H24N2O — CID 5067120

IUPACN-(heptan-4-ylideneamino)-4-phenylbenzamide
SMILESCCCC(CCC)=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-8-19(9-4-2)21-22-20(23)18-14-12-17(13-15-18)16-10-6-5-7-11-16/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeyJKZSFEUVEAZBNV-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.04
Rot. Bonds7

About N-(heptan-4-ylideneamino)-4-phenylbenzamide

N-(heptan-4-ylideneamino)-4-phenylbenzamide (PubChem CID 5067120) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(heptan-4-ylideneamino)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(heptan-4-ylideneamino)-4-phenylbenzamide
PubChem CID5067120
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(heptan-4-ylideneamino)-4-phenylbenzamide
SMILESCCCC(CCC)=NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-8-19(9-4-2)21-22-20(23)18-14-12-17(13-15-18)16-10-6-5-7-11-16/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,22,23)
InChIKeyJKZSFEUVEAZBNV-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
ethyl (2S)-2-[(E)-C-methyl-N-[(4-phenylbenzoyl)amino]carbonimidoyl]pentanoate
CID 98075591
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-phenylbenzamide
CID 54785301

Frequently Asked Questions

What is the IUPAC name of N-(heptan-4-ylideneamino)-4-phenylbenzamide?
The IUPAC name of N-(heptan-4-ylideneamino)-4-phenylbenzamide (CID 5067120) is N-(heptan-4-ylideneamino)-4-phenylbenzamide.
What is the SMILES notation for N-(heptan-4-ylideneamino)-4-phenylbenzamide?
The canonical SMILES for N-(heptan-4-ylideneamino)-4-phenylbenzamide is CCCC(CCC)=NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(heptan-4-ylideneamino)-4-phenylbenzamide?
The InChIKey is JKZSFEUVEAZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-8-19(9-4-2)21-22-20(23)18-14-12-17(13-15-18)16-10-6-5-7-11-16/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,22,23).
What are the key properties of N-(heptan-4-ylideneamino)-4-phenylbenzamide?
N-(heptan-4-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-(heptan-4-ylideneamino)-4-phenylbenzamide is sourced from PubChem (CID 5067120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).