4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide

C24H23N3O2 — CID 6367877

IUPAC4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-2-9-22(18-10-5-3-6-11-18)26-27-24(29)20-14-16-21(17-15-20)25-23(28)19-12-7-4-8-13-19/h3-8,10-17H,2,9H2,1H3,(H,25,28)(H,27,29)/b26-22+
InChIKeyUHATURBKYBGYFK-XTCLZLMSSA-N
MW385.47 g/mol
LogP4.87
Rot. Bonds7

About 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide

4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide (PubChem CID 6367877) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
PubChem CID6367877
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-2-9-22(18-10-5-3-6-11-18)26-27-24(29)20-14-16-21(17-15-20)25-23(28)19-12-7-4-8-13-19/h3-8,10-17H,2,9H2,1H3,(H,25,28)(H,27,29)/b26-22+
InChIKeyUHATURBKYBGYFK-XTCLZLMSSA-N
XLogP4.87
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
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

4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-benzamido-N-ethylbenzamide
CID 17153265
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide (CID 6367877) is 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide is CCC/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide?
The InChIKey is UHATURBKYBGYFK-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-9-22(18-10-5-3-6-11-18)26-27-24(29)20-14-16-21(17-15-20)25-23(28)19-12-7-4-8-13-19/h3-8,10-17H,2,9H2,1H3,(H,25,28)(H,27,29)/b26-22+.
What are the key properties of 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide?
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6367877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).