cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate

C13H17NO3 — CID 112738572

IUPACcyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-9-6-7-11(12(15)8-9)14-13(16)17-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3,(H,14,16)
InChIKeyNVOODJFWEQJMFM-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.19
Rot. Bonds2

About cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate

cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate (PubChem CID 112738572) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
PubChem CID112738572
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namecyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c1-9-6-7-11(12(15)8-9)14-13(16)17-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3,(H,14,16)
InChIKeyNVOODJFWEQJMFM-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
CID 4548221
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
CID 112738566
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate?
The IUPAC name of cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate (CID 112738572) is cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate?
The canonical SMILES for cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate is Cc1ccc(NC(=O)OC2CCCC2)c(O)c1.
What is the InChIKey of cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate?
The InChIKey is NVOODJFWEQJMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-7-11(12(15)8-9)14-13(16)17-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3,(H,14,16).
What are the key properties of cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate?
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate has a molecular weight of 235.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate is sourced from PubChem (CID 112738572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).