3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride

C13H21ClN2O2 — CID 119705445

IUPAC3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(CCO)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-11-5-3-10(4-6-11)7-8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H
InChIKeyFMNPNPOGTLKIMD-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119705445) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119705445
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(CCO)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-11-5-3-10(4-6-11)7-8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H
InChIKeyFMNPNPOGTLKIMD-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103771888
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride (CID 119705445) is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)Nc1ccc(CCO)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is FMNPNPOGTLKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-11-5-3-10(4-6-11)7-8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119705445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).