3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide

C15H21NO3 — CID 91791431

IUPAC3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cccc(O)c1C)C1CC(O)C1
InChIInChI=1S/C15H21NO3/c1-3-13(10-7-11(17)8-10)16-15(19)12-5-4-6-14(18)9(12)2/h4-6,10-11,13,17-18H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyXGWZVJJXZVGJDV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds4

About 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide

3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide (PubChem CID 91791431) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide
PubChem CID91791431
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cccc(O)c1C)C1CC(O)C1
InChIInChI=1S/C15H21NO3/c1-3-13(10-7-11(17)8-10)16-15(19)12-5-4-6-14(18)9(12)2/h4-6,10-11,13,17-18H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyXGWZVJJXZVGJDV-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide (CID 91791431) is 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide is CCC(NC(=O)c1cccc(O)c1C)C1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide?
The InChIKey is XGWZVJJXZVGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-13(10-7-11(17)8-10)16-15(19)12-5-4-6-14(18)9(12)2/h4-6,10-11,13,17-18H,3,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide?
3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide is sourced from PubChem (CID 91791431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).