ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate

C10H19NO3 — CID 22273026

IUPACethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
SMILESCCOC(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C10H19NO3/c1-3-14-9(12)11-8-4-6-10(2,13)7-5-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyDDFRQAIVKXADJQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.43
Rot. Bonds2

About ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate

ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate (PubChem CID 22273026) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
PubChem CID22273026
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
SMILESCCOC(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C10H19NO3/c1-3-14-9(12)11-8-4-6-10(2,13)7-5-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyDDFRQAIVKXADJQ-UHFFFAOYSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-(methylamino)cyclohexyl]carbamate
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ethyl N-(thian-4-yl)carbamate
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ethyl N-(4-oxocyclohexyl)carbamate
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ethyl N-[(3S)-1-methanidylpyrrolidin-3-yl]carbamate
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ethyl N-(4-propylcyclohexyl)carbamate
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ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate
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ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
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ethyl N-pyrrolidin-3-ylcarbamate
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ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate?
The IUPAC name of ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate (CID 22273026) is ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate.
What is the SMILES notation for ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate?
The canonical SMILES for ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate is CCOC(=O)NC1CCC(C)(O)CC1.
What is the InChIKey of ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate?
The InChIKey is DDFRQAIVKXADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-9(12)11-8-4-6-10(2,13)7-5-8/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate?
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate is sourced from PubChem (CID 22273026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).