N-cyclopentyloxy-3-hydroxy-4-methylbenzamide

C13H17NO3 — CID 83235676

IUPACN-cyclopentyloxy-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NOC2CCCC2)cc1O
InChIInChI=1S/C13H17NO3/c1-9-6-7-10(8-12(9)15)13(16)14-17-11-4-2-3-5-11/h6-8,11,15H,2-5H2,1H3,(H,14,16)
InChIKeyYORNBZIJFHOYEA-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.30
Rot. Bonds3

About N-cyclopentyloxy-3-hydroxy-4-methylbenzamide

N-cyclopentyloxy-3-hydroxy-4-methylbenzamide (PubChem CID 83235676) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-cyclopentyloxy-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-hydroxy-4-methylbenzamide
PubChem CID83235676
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-cyclopentyloxy-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NOC2CCCC2)cc1O
InChIInChI=1S/C13H17NO3/c1-9-6-7-10(8-12(9)15)13(16)14-17-11-4-2-3-5-11/h6-8,11,15H,2-5H2,1H3,(H,14,16)
InChIKeyYORNBZIJFHOYEA-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
4-bromo-N-cyclopentyloxy-3-(trifluoromethyl)benzamide
CID 83202017
N-cyclopentyloxy-3,5-difluorobenzamide
CID 83202361
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-cyclopentyloxy-4-methylsulfanyl-3-nitrobenzamide
CID 83202866
4-(2-aminoethyl)-N-cyclopentyloxybenzamide
CID 83235858
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-cyclopentyloxy-3-hydroxy-4-methylbenzamide (CID 83235676) is N-cyclopentyloxy-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-cyclopentyloxy-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-cyclopentyloxy-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NOC2CCCC2)cc1O.
What is the InChIKey of N-cyclopentyloxy-3-hydroxy-4-methylbenzamide?
The InChIKey is YORNBZIJFHOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-7-10(8-12(9)15)13(16)14-17-11-4-2-3-5-11/h6-8,11,15H,2-5H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyloxy-3-hydroxy-4-methylbenzamide?
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide has a molecular weight of 235.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 83235676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).