3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea

C11H22N2O3 — CID 47326407

IUPAC3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H22N2O3/c1-13(7-8-16-2)11(15)12-9-3-5-10(14)6-4-9/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyRQIPBWILOPSFEH-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds4

About 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea

3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea (PubChem CID 47326407) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
PubChem CID47326407
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H22N2O3/c1-13(7-8-16-2)11(15)12-9-3-5-10(14)6-4-9/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyRQIPBWILOPSFEH-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
CID 43329797
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
3-cyclopentyl-1-(2-methoxyethyl)-1-methylthiourea
CID 116507622
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
CID 142463129
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea (CID 47326407) is 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea is COCCN(C)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea?
The InChIKey is RQIPBWILOPSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-13(7-8-16-2)11(15)12-9-3-5-10(14)6-4-9/h9-10,14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea?
3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea has a molecular weight of 230.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 47326407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).