4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide

C12H17N3O — CID 9070750

IUPAC4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4,13H2,1-2H3,(H,15,16)/b14-9-
InChIKeyKWHYDYOFNYLXLT-ZROIWOOFSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide

4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide (PubChem CID 9070750) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
PubChem CID9070750
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4,13H2,1-2H3,(H,15,16)/b14-9-
InChIKeyKWHYDYOFNYLXLT-ZROIWOOFSA-N
XLogP2.17
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.17
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-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide (CID 9070750) is 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide is CCC/C(C)=N\NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide?
The InChIKey is KWHYDYOFNYLXLT-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-9(2)14-15-12(16)10-5-7-11(13)8-6-10/h5-8H,3-4,13H2,1-2H3,(H,15,16)/b14-9-.
What are the key properties of 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide?
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide has a molecular weight of 219.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide is sourced from PubChem (CID 9070750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).