3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride

C13H21ClN2O2 — CID 119775484

IUPAC3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCc1cccc(CO)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-7-10-4-3-5-11(6-10)8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H
InChIKeyBJPXQRDHXYKMPT-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.20
Rot. Bonds5

About 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119775484) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119775484
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCc1cccc(CO)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-7-10-4-3-5-11(6-10)8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H
InChIKeyBJPXQRDHXYKMPT-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride (CID 119775484) is 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)NCc1cccc(CO)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is BJPXQRDHXYKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-13(2,9-14)12(17)15-7-10-4-3-5-11(6-10)8-16;/h3-6,16H,7-9,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119775484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).