2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide

C13H21N3O — CID 43574920

IUPAC2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
SMILESCCN(CCc1ccc(N)cc1)CC(=O)NC
InChIInChI=1S/C13H21N3O/c1-3-16(10-13(17)15-2)9-8-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3,(H,15,17)
InChIKeyFGAUFVJLYCOLPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide

2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide (PubChem CID 43574920) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
PubChem CID43574920
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
SMILESCCN(CCc1ccc(N)cc1)CC(=O)NC
InChIInChI=1S/C13H21N3O/c1-3-16(10-13(17)15-2)9-8-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3,(H,15,17)
InChIKeyFGAUFVJLYCOLPL-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide 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

3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
2-[(3-amino-4-bromophenyl)methyl-ethylamino]-N-methylacetamide
CID 113335069
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
4-[3-(diethylamino)propyl]aniline
CID 10608385
2-[[2-(4-amino-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-methylacetamide
CID 43574894
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
2-[2-[2-[(4-aminophenyl)methyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-ethylamino]acetate;methane
CID 160504488
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide (CID 43574920) is 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide is CCN(CCc1ccc(N)cc1)CC(=O)NC.
What is the InChIKey of 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide?
The InChIKey is FGAUFVJLYCOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(10-13(17)15-2)9-8-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide?
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 43574920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).