N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide

C12H17NO4 — CID 66169594

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO4/c1-12(17,8-14)7-13-11(16)6-9-3-2-4-10(15)5-9/h2-5,14-15,17H,6-8H2,1H3,(H,13,16)
InChIKeyUWEAHTPVCGGYFD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.21
Rot. Bonds5

About N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 66169594) 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-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID66169594
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO4/c1-12(17,8-14)7-13-11(16)6-9-3-2-4-10(15)5-9/h2-5,14-15,17H,6-8H2,1H3,(H,13,16)
InChIKeyUWEAHTPVCGGYFD-UHFFFAOYSA-N
XLogP-0.21
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 63859309
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
CID 107690124
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 66168615
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide (CID 66169594) is N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide is CC(O)(CO)CNC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is UWEAHTPVCGGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(17,8-14)7-13-11(16)6-9-3-2-4-10(15)5-9/h2-5,14-15,17H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 66169594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).