2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide

C14H19NO3 — CID 103279879

IUPAC2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2CCC(O)C2)c1
InChIInChI=1S/C14H19NO3/c1-9-2-5-13(17)12(6-9)14(18)15-8-10-3-4-11(16)7-10/h2,5-6,10-11,16-17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyWMBBNKVAPTXWGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.59
Rot. Bonds3

About 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide

2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide (PubChem CID 103279879) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
PubChem CID103279879
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2CCC(O)C2)c1
InChIInChI=1S/C14H19NO3/c1-9-2-5-13(17)12(6-9)14(18)15-8-10-3-4-11(16)7-10/h2,5-6,10-11,16-17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyWMBBNKVAPTXWGT-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
CID 103280585
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
N-[[(3S)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]methyl]-2-hydroxy-5-methylbenzamide
CID 95230640
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide (CID 103279879) is 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC2CCC(O)C2)c1.
What is the InChIKey of 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide?
The InChIKey is WMBBNKVAPTXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-2-5-13(17)12(6-9)14(18)15-8-10-3-4-11(16)7-10/h2,5-6,10-11,16-17H,3-4,7-8H2,1H3,(H,15,18).
What are the key properties of 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide?
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 103279879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).