3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride

C12H19ClN2O2 — CID 115603008

IUPAC3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CNCc1ccccc1O)C(N)=O.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-12(2,11(13)16)8-14-7-9-5-3-4-6-10(9)15;/h3-6,14-15H,7-8H2,1-2H3,(H2,13,16);1H
InChIKeyCDWYGKFQYKWPGP-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.42
Rot. Bonds5

About 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride

3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 115603008) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
PubChem CID115603008
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CNCc1ccccc1O)C(N)=O.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-12(2,11(13)16)8-14-7-9-5-3-4-6-10(9)15;/h3-6,14-15H,7-8H2,1-2H3,(H2,13,16);1H
InChIKeyCDWYGKFQYKWPGP-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
3-[(2-bromo-3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 106276675
3-[[2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2,2-dimethylpropanamide
CID 106277755
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
3-[(2,3-dihydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113357962
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
2-(ethylaminomethyl)phenol
CID 12995218

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride (CID 115603008) is 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CNCc1ccccc1O)C(N)=O.Cl.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is CDWYGKFQYKWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-12(2,11(13)16)8-14-7-9-5-3-4-6-10(9)15;/h3-6,14-15H,7-8H2,1-2H3,(H2,13,16);1H.
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride?
3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 115603008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).