1-cyclododecyl-3-(oxolan-2-yl)urea

C17H32N2O2 — CID 108887824

IUPAC1-cyclododecyl-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCCCCCCCCC1)NC1CCCO1
InChIInChI=1S/C17H32N2O2/c20-17(19-16-13-10-14-21-16)18-15-11-8-6-4-2-1-3-5-7-9-12-15/h15-16H,1-14H2,(H2,18,19,20)
InChIKeyOYWIZRFURSUBGV-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.10
Rot. Bonds2

About 1-cyclododecyl-3-(oxolan-2-yl)urea

1-cyclododecyl-3-(oxolan-2-yl)urea (PubChem CID 108887824) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-cyclododecyl-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(oxolan-2-yl)urea
PubChem CID108887824
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name1-cyclododecyl-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCCCCCCCCC1)NC1CCCO1
InChIInChI=1S/C17H32N2O2/c20-17(19-16-13-10-14-21-16)18-15-11-8-6-4-2-1-3-5-7-9-12-15/h15-16H,1-14H2,(H2,18,19,20)
InChIKeyOYWIZRFURSUBGV-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-3-yl)-3-(oxolan-2-yl)urea
CID 117234826
1-cyclobutyl-3-cyclohexylurea
CID 17217147
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
CID 110706653
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
1-(2-aminoethyl)-3-(oxolan-2-yl)urea
CID 117234856
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(oxolan-2-yl)urea?
The IUPAC name of 1-cyclododecyl-3-(oxolan-2-yl)urea (CID 108887824) is 1-cyclododecyl-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-cyclododecyl-3-(oxolan-2-yl)urea is O=C(NC1CCCCCCCCCCC1)NC1CCCO1.
What is the InChIKey of 1-cyclododecyl-3-(oxolan-2-yl)urea?
The InChIKey is OYWIZRFURSUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c20-17(19-16-13-10-14-21-16)18-15-11-8-6-4-2-1-3-5-7-9-12-15/h15-16H,1-14H2,(H2,18,19,20).
What are the key properties of 1-cyclododecyl-3-(oxolan-2-yl)urea?
1-cyclododecyl-3-(oxolan-2-yl)urea has a molecular weight of 296.46 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(oxolan-2-yl)urea is sourced from PubChem (CID 108887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).