4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide

C16H17N3O — CID 9070990

IUPAC4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\CCc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c17-15-10-8-14(9-11-15)16(20)19-18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,4,7,17H2,(H,19,20)/b18-12-
InChIKeyKAERUIACODBLGV-PDGQHHTCSA-N
MW267.33 g/mol
LogP2.62
Rot. Bonds5

About 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide

4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide (PubChem CID 9070990) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
PubChem CID9070990
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\CCc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c17-15-10-8-14(9-11-15)16(20)19-18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,4,7,17H2,(H,19,20)/b18-12-
InChIKeyKAERUIACODBLGV-PDGQHHTCSA-N
XLogP2.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.62
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

N'-(3-phenylpropylideneamino)oxamide
CID 4674915
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide
CID 135938159
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
CID 7238939
4-methoxy-N-[(E)-2-phenylmethoxyethylideneamino]benzamide
CID 135151082
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide (CID 9070990) is 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\CCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide?
The InChIKey is KAERUIACODBLGV-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17N3O/c17-15-10-8-14(9-11-15)16(20)19-18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,4,7,17H2,(H,19,20)/b18-12-.
What are the key properties of 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide?
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide is sourced from PubChem (CID 9070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).