3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide

C14H19NO3 — CID 113368337

IUPAC3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(O)c1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-10(11-5-7-18-8-6-11)15-14(17)12-3-2-4-13(16)9-12/h2-4,9-11,16H,5-8H2,1H3,(H,15,17)
InChIKeyNPCWXZIRNKUKBC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds3

About 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide

3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide (PubChem CID 113368337) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
PubChem CID113368337
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(O)c1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-10(11-5-7-18-8-6-11)15-14(17)12-3-2-4-13(16)9-12/h2-4,9-11,16H,5-8H2,1H3,(H,15,17)
InChIKeyNPCWXZIRNKUKBC-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
4-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99717080

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide (CID 113368337) is 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide is CC(NC(=O)c1cccc(O)c1)C1CCOCC1.
What is the InChIKey of 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is NPCWXZIRNKUKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-5-7-18-8-6-11)15-14(17)12-3-2-4-13(16)9-12/h2-4,9-11,16H,5-8H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide?
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.94, 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-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 113368337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).