3-cyclododecyl-1,1-dimethylurea

C15H30N2O — CID 2784599

IUPAC3-cyclododecyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(18)16-14-12-10-8-6-4-3-5-7-9-11-13-14/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyBZJNPVSQQOQVRV-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.93
Rot. Bonds1

About 3-cyclododecyl-1,1-dimethylurea

3-cyclododecyl-1,1-dimethylurea (PubChem CID 2784599) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-cyclododecyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-cyclododecyl-1,1-dimethylurea
PubChem CID2784599
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-cyclododecyl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C15H30N2O/c1-17(2)15(18)16-14-12-10-8-6-4-3-5-7-9-11-13-14/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyBZJNPVSQQOQVRV-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cycluron
CID 16554
1-Cyclohexyl-3-decyl-urea
CID 4359
1,1'-Hexamethylenebis (3,3-dimethylurea)
CID 99644
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
1-Dodecyl-3-(2-methylpropyl)urea
CID 22731249
Urea, N-dodecyl-
CID 75091
N-cyclohexyl-N'-cyclooctylurea
CID 840783
1-Cycloheptyl-3-cyclohexylurea
CID 844674
1-Cyclohexyl-3-dodecylurea
CID 4437430
Heptylurea
CID 39357
N-Octylurea
CID 200490

Frequently Asked Questions

What is the IUPAC name of 3-cyclododecyl-1,1-dimethylurea?
The IUPAC name of 3-cyclododecyl-1,1-dimethylurea (CID 2784599) is 3-cyclododecyl-1,1-dimethylurea.
What is the SMILES notation for 3-cyclododecyl-1,1-dimethylurea?
The canonical SMILES for 3-cyclododecyl-1,1-dimethylurea is CN(C)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 3-cyclododecyl-1,1-dimethylurea?
The InChIKey is BZJNPVSQQOQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(2)15(18)16-14-12-10-8-6-4-3-5-7-9-11-13-14/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclododecyl-1,1-dimethylurea?
3-cyclododecyl-1,1-dimethylurea has a molecular weight of 254.42 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecyl-1,1-dimethylurea is sourced from PubChem (CID 2784599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).