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

C17H20N4O — CID 6169324

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1C)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12-6-3-4-9-16(12)19-11-17(22)21-20-13(2)14-7-5-8-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13-
InChIKeyFWZBTLVLSYMKCK-MOSHPQCFSA-N
MW296.37 g/mol
LogP2.53
Rot. Bonds5

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

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 6169324) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
PubChem CID6169324
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1C)c1cccc(N)c1
InChIInChI=1S/C17H20N4O/c1-12-6-3-4-9-16(12)19-11-17(22)21-20-13(2)14-7-5-8-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13-
InChIKeyFWZBTLVLSYMKCK-MOSHPQCFSA-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-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 16553710
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
CID 6169328
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
CID 5427988
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
2-(2-methylanilino)acetohydrazide
CID 730478
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide (CID 6169324) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide is C/C(=N/NC(=O)CNc1ccccc1C)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is FWZBTLVLSYMKCK-MOSHPQCFSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-3-4-9-16(12)19-11-17(22)21-20-13(2)14-7-5-8-15(18)10-14/h3-10,19H,11,18H2,1-2H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-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-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 6169324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).