1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea

C13H24N2O2 — CID 115759113

IUPAC1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
SMILESCCC1CCCC(NC(=O)NC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-4-3-5-11(8-10)14-13(16)15-12-6-7-17-9-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyUMTSSIAPRTYTHW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea

1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea (PubChem CID 115759113) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
PubChem CID115759113
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
SMILESCCC1CCCC(NC(=O)NC2CCOC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-10-4-3-5-11(8-10)14-13(16)15-12-6-7-17-9-12/h10-12H,2-9H2,1H3,(H2,14,15,16)
InChIKeyUMTSSIAPRTYTHW-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
4-ethyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 114429328
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
N-(3-ethylcyclobutyl)oxolan-3-amine
CID 130644988
1-(3,3-dimethylcyclohexyl)-3-(oxolan-3-yl)urea
CID 116656982
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
CID 80715851
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea (CID 115759113) is 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea is CCC1CCCC(NC(=O)NC2CCOC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea?
The InChIKey is UMTSSIAPRTYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-10-4-3-5-11(8-10)14-13(16)15-12-6-7-17-9-12/h10-12H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea?
1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).