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

C13H20N2O3 — CID 114242938

IUPAC2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10,14H2,1H3
InChIKeyWZLIUGWLNWTJNG-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.28
Rot. Bonds7

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

2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (PubChem CID 114242938) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
PubChem CID114242938
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10,14H2,1H3
InChIKeyWZLIUGWLNWTJNG-UHFFFAOYSA-N
XLogP0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-methylacetamide
CID 60681963
2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
CID 61071266
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
2-(4-aminophenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119798084

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (CID 114242938) is 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is CN(CCOCCO)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The InChIKey is WZLIUGWLNWTJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10,14H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 114242938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).