1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea

C12H22N2O2 — CID 681640

IUPAC1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)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)/t11-/m1/s1
InChIKeyRYUZWZOTJULRNS-LLVKDONJSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea

1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 681640) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID681640
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)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)/t11-/m1/s1
InChIKeyRYUZWZOTJULRNS-LLVKDONJSA-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

N-cyclohexyl-N'-(tetrahydro-2-furanylmethyl)urea
CID 2886315
(Tetrahydro-furan-2-ylmethyl)-urea
CID 3680258
N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
N-Cyclohexyl-N'-(1-(methoxymethyl)propyl)urea
CID 4369851
1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
CID 38154782
N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
CID 38154784
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-cyclohexylurea
CID 53610589
1-(3,3-Dimethylbutan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 72136625
1-(2-Fluoroethyl)-3-(2-propoxycyclohexyl)urea
CID 88976838
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
1-(4,4-Difluorocyclohexyl)-3-((tetrahydrofuran-2-yl)methyl)urea
CID 121021908

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 681640) is 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is RYUZWZOTJULRNS-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-cyclohexyl-3-[[(2R)-oxolan-2-yl]methyl]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-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 681640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).