2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid

C14H26N2O4 — CID 22280854

IUPAC2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(CCC1CCC(C(=O)N(C)CCO)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-15(9-10-17)13(18)12-5-3-11(4-6-12)7-8-16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyUGAANSMUMIAXIB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.24
Rot. Bonds6

About 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid

2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid (PubChem CID 22280854) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
PubChem CID22280854
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(CCC1CCC(C(=O)N(C)CCO)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-15(9-10-17)13(18)12-5-3-11(4-6-12)7-8-16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20)
InChIKeyUGAANSMUMIAXIB-UHFFFAOYSA-N
XLogP1.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid (CID 22280854) is 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid is CN(CCC1CCC(C(=O)N(C)CCO)CC1)C(=O)O.
What is the InChIKey of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
The InChIKey is UGAANSMUMIAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-15(9-10-17)13(18)12-5-3-11(4-6-12)7-8-16(2)14(19)20/h11-12,17H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid?
2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid has a molecular weight of 286.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]ethyl-methylcarbamic acid is sourced from PubChem (CID 22280854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).