4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide

C21H25N3O — CID 7955494

IUPAC4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
SMILESCCCCCC(/C=N\NC(=O)c1ccc(N)cc1)=C\c1ccccc1
InChIInChI=1S/C21H25N3O/c1-2-3-5-10-18(15-17-8-6-4-7-9-17)16-23-24-21(25)19-11-13-20(22)14-12-19/h4,6-9,11-16H,2-3,5,10,22H2,1H3,(H,24,25)/b18-15+,23-16-
InChIKeyYURFUPCKBKGFEN-PTUHFYJISA-N
MW335.45 g/mol
LogP4.65
Rot. Bonds8

About 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide

4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide (PubChem CID 7955494) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
PubChem CID7955494
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
SMILESCCCCCC(/C=N\NC(=O)c1ccc(N)cc1)=C\c1ccccc1
InChIInChI=1S/C21H25N3O/c1-2-3-5-10-18(15-17-8-6-4-7-9-17)16-23-24-21(25)19-11-13-20(22)14-12-19/h4,6-9,11-16H,2-3,5,10,22H2,1H3,(H,24,25)/b18-15+,23-16-
InChIKeyYURFUPCKBKGFEN-PTUHFYJISA-N
XLogP4.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
CID 6288454
N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
CID 75460595
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide (CID 7955494) is 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide is CCCCCC(/C=N\NC(=O)c1ccc(N)cc1)=C\c1ccccc1.
What is the InChIKey of 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide?
The InChIKey is YURFUPCKBKGFEN-PTUHFYJISA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-3-5-10-18(15-17-8-6-4-7-9-17)16-23-24-21(25)19-11-13-20(22)14-12-19/h4,6-9,11-16H,2-3,5,10,22H2,1H3,(H,24,25)/b18-15+,23-16-.
What are the key properties of 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide?
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide has a molecular weight of 335.45 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide is sourced from PubChem (CID 7955494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).