2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide

C17H19N3O — CID 870845

IUPAC2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1C=NNC(=O)CNc1ccccc1C
InChIInChI=1S/C17H19N3O/c1-13-7-3-5-9-15(13)11-19-20-17(21)12-18-16-10-6-4-8-14(16)2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyUQGGNBCWZQSJNO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide

2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide (PubChem CID 870845) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
PubChem CID870845
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1C=NNC(=O)CNc1ccccc1C
InChIInChI=1S/C17H19N3O/c1-13-7-3-5-9-15(13)11-19-20-17(21)12-18-16-10-6-4-8-14(16)2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyUQGGNBCWZQSJNO-UHFFFAOYSA-N
XLogP2.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 136908099
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 6277132
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5405124
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide (CID 870845) is 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1C=NNC(=O)CNc1ccccc1C.
What is the InChIKey of 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is UQGGNBCWZQSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-7-3-5-9-15(13)11-19-20-17(21)12-18-16-10-6-4-8-14(16)2/h3-11,18H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide?
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 870845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).