3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea

C13H24N2O2 — CID 116657140

IUPAC3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
SMILESCC1OCCC1N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10-12(8-9-17-10)15(2)13(16)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyNKLDAQMSDZJPNE-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds2

About 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea

3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea (PubChem CID 116657140) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
PubChem CID116657140
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
SMILESCC1OCCC1N(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10-12(8-9-17-10)15(2)13(16)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyNKLDAQMSDZJPNE-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
CID 116509678
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 82747860
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 82741951

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea (CID 116657140) is 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea is CC1OCCC1N(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea?
The InChIKey is NKLDAQMSDZJPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-12(8-9-17-10)15(2)13(16)14-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea?
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 116657140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).