N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide

C13H17NO4 — CID 103849795

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1(O)CCOC1
InChIInChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)7-12(16)14-8-13(17)5-6-18-9-13/h1-4,15,17H,5-9H2,(H,14,16)
InChIKeyWOLODWWUUJSAHJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.20
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 103849795) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID103849795
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1(O)CCOC1
InChIInChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)7-12(16)14-8-13(17)5-6-18-9-13/h1-4,15,17H,5-9H2,(H,14,16)
InChIKeyWOLODWWUUJSAHJ-UHFFFAOYSA-N
XLogP0.20
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849356
2-(2-hydroxyphenyl)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722422
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722817
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide (CID 103849795) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is WOLODWWUUJSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)7-12(16)14-8-13(17)5-6-18-9-13/h1-4,15,17H,5-9H2,(H,14,16).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 251.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 103849795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).