N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide

C13H19NO3 — CID 65109951

IUPACN-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
SMILESCC(C)(O)CNC(=O)CCc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-13(2,17)9-14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyVXWQMOWITGOWIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide

N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 65109951) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
PubChem CID65109951
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
SMILESCC(C)(O)CNC(=O)CCc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-13(2,17)9-14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16)
InChIKeyVXWQMOWITGOWIZ-UHFFFAOYSA-N
XLogP1.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
CID 60621631
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
tert-butyl N-[3-[3-(2-hydroxyphenyl)propanoylamino]propyl]-N-[12-[3-[3-(2-hydroxyphenyl)propanoylamino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]dodecyl]carbamate
CID 73347887
2-(2-hydroxyphenyl)-N-(2,2,3-trimethylbutyl)acetamide
CID 102673574
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide (CID 65109951) is N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide is CC(C)(O)CNC(=O)CCc1ccccc1O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is VXWQMOWITGOWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17)9-14-12(16)8-7-10-5-3-4-6-11(10)15/h3-6,15,17H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide?
N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 65109951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).