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

C17H19N3O — CID 6392052

IUPAC4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-6-16(13-7-4-3-5-8-13)19-20-17(21)14-9-11-15(18)12-10-14/h3-5,7-12H,2,6,18H2,1H3,(H,20,21)/b19-16+
InChIKeyQSZSERVNOWQRIA-KNTRCKAVSA-N
MW281.36 g/mol
LogP3.20
Rot. Bonds5

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

4-amino-N-[(E)-1-phenylbutylideneamino]benzamide (PubChem CID 6392052) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
PubChem CID6392052
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
SMILESCCC/C(=N\NC(=O)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-6-16(13-7-4-3-5-8-13)19-20-17(21)14-9-11-15(18)12-10-14/h3-5,7-12H,2,6,18H2,1H3,(H,20,21)/b19-16+
InChIKeyQSZSERVNOWQRIA-KNTRCKAVSA-N
XLogP3.20
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
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
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
3-iodo-4-methoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6117993
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide (CID 6392052) is 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide is CCC/C(=N\NC(=O)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide?
The InChIKey is QSZSERVNOWQRIA-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-6-16(13-7-4-3-5-8-13)19-20-17(21)14-9-11-15(18)12-10-14/h3-5,7-12H,2,6,18H2,1H3,(H,20,21)/b19-16+.
What are the key properties of 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide?
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-1-phenylbutylideneamino]benzamide is sourced from PubChem (CID 6392052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).