2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide

C16H19N3O — CID 61297509

IUPAC2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-12-6-3-4-9-15(12)18-16(20)11-19(2)14-8-5-7-13(17)10-14/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyBDFKSYDAWWQWEB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide

2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 61297509) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
PubChem CID61297509
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-12-6-3-4-9-15(12)18-16(20)11-19(2)14-8-5-7-13(17)10-14/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyBDFKSYDAWWQWEB-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
CID 63229896
2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 166855505
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-(N-acetyl-2,6-dimethylanilino)-N-(2-methylphenyl)acetamide
CID 113168713

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide (CID 61297509) is 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is BDFKSYDAWWQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-3-4-9-15(12)18-16(20)11-19(2)14-8-5-7-13(17)10-14/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide?
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 61297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).