N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide

C16H17N3O — CID 6041987

IUPACN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O/c1-11-3-5-14(6-4-11)16(20)19-18-12(2)13-7-9-15(17)10-8-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12-
InChIKeyYPCZJRORFOXQQB-PDGQHHTCSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds3

About N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide (PubChem CID 6041987) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
PubChem CID6041987
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O/c1-11-3-5-14(6-4-11)16(20)19-18-12(2)13-7-9-15(17)10-8-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12-
InChIKeyYPCZJRORFOXQQB-PDGQHHTCSA-N
XLogP2.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', '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

1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide (CID 6041987) is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide?
The InChIKey is YPCZJRORFOXQQB-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-5-14(6-4-11)16(20)19-18-12(2)13-7-9-15(17)10-8-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide?
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 6041987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).