2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide

C17H21N3O — CID 63233755

IUPAC2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-11H,3,12,18H2,1-2H3,(H,19,21)
InChIKeyPPLJTTLOUVDURR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide

2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 63233755) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
PubChem CID63233755
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C)c1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-11H,3,12,18H2,1-2H3,(H,19,21)
InChIKeyPPLJTTLOUVDURR-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide (CID 63233755) is 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide is CCN(CC(=O)Nc1cccc(C)c1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is PPLJTTLOUVDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(16-9-7-14(18)8-10-16)12-17(21)19-15-6-4-5-13(2)11-15/h4-11H,3,12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide?
2-(4-amino-N-ethylanilino)-N-(3-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-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 63233755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).