2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

C13H20N2O2 — CID 80503099

IUPAC2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,12(17)15(3)8-9-16)10-4-6-11(14)7-5-10/h4-7,16H,8-9,14H2,1-3H3
InChIKeyLGOZFXIRHSEJMY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.00
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (PubChem CID 80503099) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
PubChem CID80503099
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,12(17)15(3)8-9-16)10-4-6-11(14)7-5-10/h4-7,16H,8-9,14H2,1-3H3
InChIKeyLGOZFXIRHSEJMY-UHFFFAOYSA-N
XLogP1.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.00
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-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 80556223
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 80555000
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 80555053
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
CID 80556057
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (CID 80503099) is 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is CN(CCO)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The InChIKey is LGOZFXIRHSEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,12(17)15(3)8-9-16)10-4-6-11(14)7-5-10/h4-7,16H,8-9,14H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 80503099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).