1-cyclohexyl-3-(oxolan-2-ylmethyl)urea

C12H22N2O2 — CID 2886315

IUPAC1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15)
InChIKeyRYUZWZOTJULRNS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea

1-cyclohexyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 2886315) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
PubChem CID2886315
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15)
InChIKeyRYUZWZOTJULRNS-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea (CID 2886315) is 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is RYUZWZOTJULRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h10-11H,1-9H2,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea?
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 2886315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).