N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide

C17H20N4O — CID 16553710

IUPACN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12-6-8-16(9-7-12)19-11-17(22)21-20-13(2)14-4-3-5-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13+
InChIKeyFBGDGSMALUZFOJ-DEDYPNTBSA-N
MW296.37 g/mol
LogP2.53
Rot. Bonds5

About N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide

N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 16553710) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
PubChem CID16553710
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1ccc(C)cc1)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12-6-8-16(9-7-12)19-11-17(22)21-20-13(2)14-4-3-5-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13+
InChIKeyFBGDGSMALUZFOJ-DEDYPNTBSA-N
XLogP2.53
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
CID 46177792
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 7966500
2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide (CID 16553710) is N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide is C/C(=N\NC(=O)CNc1ccc(C)cc1)c1cccc(N)c1.
What is the InChIKey of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is FBGDGSMALUZFOJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-8-16(9-7-12)19-11-17(22)21-20-13(2)14-4-3-5-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide?
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 16553710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).