3-hydroxy-N-propylbenzamide

C10H13NO2 — CID 18916285

IUPAC3-hydroxy-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C10H13NO2/c1-2-6-11-10(13)8-4-3-5-9(12)7-8/h3-5,7,12H,2,6H2,1H3,(H,11,13)
InChIKeyBGOKXRSVSLGTAT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds3

About 3-hydroxy-N-propylbenzamide

3-hydroxy-N-propylbenzamide (PubChem CID 18916285) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-hydroxy-N-propylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-propylbenzamide
PubChem CID18916285
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-hydroxy-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C10H13NO2/c1-2-6-11-10(13)8-4-3-5-9(12)7-8/h3-5,7,12H,2,6H2,1H3,(H,11,13)
InChIKeyBGOKXRSVSLGTAT-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-propylbenzamide?
The IUPAC name of 3-hydroxy-N-propylbenzamide (CID 18916285) is 3-hydroxy-N-propylbenzamide.
What is the SMILES notation for 3-hydroxy-N-propylbenzamide?
The canonical SMILES for 3-hydroxy-N-propylbenzamide is CCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-propylbenzamide?
The InChIKey is BGOKXRSVSLGTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-6-11-10(13)8-4-3-5-9(12)7-8/h3-5,7,12H,2,6H2,1H3,(H,11,13).
What are the key properties of 3-hydroxy-N-propylbenzamide?
3-hydroxy-N-propylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-propylbenzamide is sourced from PubChem (CID 18916285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).