3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide

C13H17NO3 — CID 113366833

IUPAC3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C13H17NO3/c1-9(11-5-6-17-8-11)14-13(16)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16)
InChIKeySDOCAURSGOFAKF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.55
Rot. Bonds3

About 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide

3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113366833) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID113366833
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(O)c1)C1CCOC1
InChIInChI=1S/C13H17NO3/c1-9(11-5-6-17-8-11)14-13(16)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16)
InChIKeySDOCAURSGOFAKF-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
5-iodo-N-[1-(oxolan-3-yl)ethyl]thiophene-3-carboxamide
CID 115648944
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 113366833) is 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide is CC(NC(=O)c1cccc(O)c1)C1CCOC1.
What is the InChIKey of 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is SDOCAURSGOFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(11-5-6-17-8-11)14-13(16)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide?
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113366833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).