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

C17H21N3O — CID 63229896

IUPAC2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C)c1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-3-20(15-9-6-8-14(18)11-15)12-17(21)19-16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3,(H,19,21)
InChIKeyGTLOCOUUUYHYEP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds5

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

2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 63229896) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
PubChem CID63229896
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C)c1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-3-20(15-9-6-8-14(18)11-15)12-17(21)19-16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3,(H,19,21)
InChIKeyGTLOCOUUUYHYEP-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.04
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-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-[[2-(N-ethyl-3-methylanilino)acetyl]amino]benzamide
CID 47078032
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
ethyl 3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]benzoate
CID 55916659
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide (CID 63229896) is 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is GTLOCOUUUYHYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(15-9-6-8-14(18)11-15)12-17(21)19-16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide?
2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-ethylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 63229896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).