1-cyclododecyl-3-(cyclohexylmethyl)urea

C20H38N2O — CID 108902864

IUPAC1-cyclododecyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H38N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h18-19H,1-17H2,(H2,21,22,23)
InChIKeyBJCODOIUGZWRCE-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.54
Rot. Bonds3

About 1-cyclododecyl-3-(cyclohexylmethyl)urea

1-cyclododecyl-3-(cyclohexylmethyl)urea (PubChem CID 108902864) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-cyclododecyl-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(cyclohexylmethyl)urea
PubChem CID108902864
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name1-cyclododecyl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H38N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h18-19H,1-17H2,(H2,21,22,23)
InChIKeyBJCODOIUGZWRCE-UHFFFAOYSA-N
XLogP5.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-cyclododecyl-3-(cyclohexylmethyl)urea (CID 108902864) is 1-cyclododecyl-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-cyclododecyl-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-(cyclohexylmethyl)urea?
The InChIKey is BJCODOIUGZWRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c23-20(21-17-18-13-9-8-10-14-18)22-19-15-11-6-4-2-1-3-5-7-12-16-19/h18-19H,1-17H2,(H2,21,22,23).
What are the key properties of 1-cyclododecyl-3-(cyclohexylmethyl)urea?
1-cyclododecyl-3-(cyclohexylmethyl)urea has a molecular weight of 322.54 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 108902864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).