1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea

C13H24N2O2 — CID 116656982

IUPAC1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea
SMILESCC1(C)CCCC(NC(=O)NC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)6-3-4-10(8-13)14-12(16)15-11-5-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyZBXSLZXPUUMSEG-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds2

About 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea

1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea (PubChem CID 116656982) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea
PubChem CID116656982
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea
SMILESCC1(C)CCCC(NC(=O)NC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)6-3-4-10(8-13)14-12(16)15-11-5-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyZBXSLZXPUUMSEG-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
CID 115759113
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-(1,1-dioxothian-3-yl)-3-(oxolan-3-yl)urea
CID 104600923
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
2,2-dimethyl-N-(oxolan-3-yl)pyrrolidine-1-carboxamide
CID 115760684
2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea (CID 116656982) is 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea is CC1(C)CCCC(NC(=O)NC2CCOC2)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea?
The InChIKey is ZBXSLZXPUUMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)6-3-4-10(8-13)14-12(16)15-11-5-7-17-9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea?
1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 116656982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).