2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate

C11H21NO4 — CID 79348734

IUPAC2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
SMILESCC1CCC(O)(CNC(=O)OCCO)CC1
InChIInChI=1S/C11H21NO4/c1-9-2-4-11(15,5-3-9)8-12-10(14)16-7-6-13/h9,13,15H,2-8H2,1H3,(H,12,14)
InChIKeyGSNPFZCAYXUHJR-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.65
Rot. Bonds4

About 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate

2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate (PubChem CID 79348734) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
PubChem CID79348734
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate
SMILESCC1CCC(O)(CNC(=O)OCCO)CC1
InChIInChI=1S/C11H21NO4/c1-9-2-4-11(15,5-3-9)8-12-10(14)16-7-6-13/h9,13,15H,2-8H2,1H3,(H,12,14)
InChIKeyGSNPFZCAYXUHJR-UHFFFAOYSA-N
XLogP0.65
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate (CID 79348734) is 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate is CC1CCC(O)(CNC(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate?
The InChIKey is GSNPFZCAYXUHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9-2-4-11(15,5-3-9)8-12-10(14)16-7-6-13/h9,13,15H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate?
2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1-hydroxy-4-methylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 79348734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).