N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide

C15H21NO2 — CID 82828967

IUPACN-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-10-13(8-5-9-14(10)17)15(18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyKXFRGGYGYPJTDB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds3

About N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide

N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82828967) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
PubChem CID82828967
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-10-13(8-5-9-14(10)17)15(18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyKXFRGGYGYPJTDB-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide (CID 82828967) is N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is KXFRGGYGYPJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-13(8-5-9-14(10)17)15(18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,17H,3-4,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide?
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82828967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).