2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide

C17H19N3O — CID 21370947

IUPAC2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19N3O/c1-11-8-9-14(10-12(11)2)13(3)19-20-17(21)15-6-4-5-7-16(15)18/h4-10H,18H2,1-3H3,(H,20,21)/b19-13+
InChIKeyAEMMJBCJZPAPNY-CPNJWEJPSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide

2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide (PubChem CID 21370947) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
PubChem CID21370947
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1N)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19N3O/c1-11-8-9-14(10-12(11)2)13(3)19-20-17(21)15-6-4-5-7-16(15)18/h4-10H,18H2,1-3H3,(H,20,21)/b19-13+
InChIKeyAEMMJBCJZPAPNY-CPNJWEJPSA-N
XLogP3.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
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

2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
4-bromo-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982702
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide (CID 21370947) is 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1N)c1ccc(C)c(C)c1.
What is the InChIKey of 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The InChIKey is AEMMJBCJZPAPNY-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-9-14(10-12(11)2)13(3)19-20-17(21)15-6-4-5-7-16(15)18/h4-10H,18H2,1-3H3,(H,20,21)/b19-13+.
What are the key properties of 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 21370947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).