N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide

C17H20N4O — CID 5336340

IUPACN-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12(14-5-4-6-15(18)11-14)19-20-17(22)13-7-9-16(10-8-13)21(2)3/h4-11H,18H2,1-3H3,(H,20,22)/b19-12+
InChIKeyZFMUMOQQYJDOPM-XDHOZWIPSA-N
MW296.37 g/mol
LogP2.49
Rot. Bonds4

About N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide

N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide (PubChem CID 5336340) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
PubChem CID5336340
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12(14-5-4-6-15(18)11-14)19-20-17(22)13-7-9-16(10-8-13)21(2)3/h4-11H,18H2,1-3H3,(H,20,22)/b19-12+
InChIKeyZFMUMOQQYJDOPM-XDHOZWIPSA-N
XLogP2.49
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
4-(dimethylamino)-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4057400
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide (CID 5336340) is N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide is C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccc(N)c1.
What is the InChIKey of N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is ZFMUMOQQYJDOPM-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(14-5-4-6-15(18)11-14)19-20-17(22)13-7-9-16(10-8-13)21(2)3/h4-11H,18H2,1-3H3,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide?
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 5336340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).