N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide

C12H17NO4 — CID 66169825

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
SMILESCC(O)(CO)CNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO4/c1-12(16,9-14)8-13-11(15)7-17-10-5-3-2-4-6-10/h2-6,14,16H,7-9H2,1H3,(H,13,15)
InChIKeyWRIPOVGYSPMRKA-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.08
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide (PubChem CID 66169825) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
PubChem CID66169825
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
SMILESCC(O)(CO)CNC(=O)COc1ccccc1
InChIInChI=1S/C12H17NO4/c1-12(16,9-14)8-13-11(15)7-17-10-5-3-2-4-6-10/h2-6,14,16H,7-9H2,1H3,(H,13,15)
InChIKeyWRIPOVGYSPMRKA-UHFFFAOYSA-N
XLogP-0.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
3-hydroxy-3-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 66003112
3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxypropanamide
CID 66169775
4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003114

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide (CID 66169825) is N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide is CC(O)(CO)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide?
The InChIKey is WRIPOVGYSPMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(16,9-14)8-13-11(15)7-17-10-5-3-2-4-6-10/h2-6,14,16H,7-9H2,1H3,(H,13,15).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide is sourced from PubChem (CID 66169825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).