1-cyclooctyl-3-(oxolan-2-ylmethyl)urea

C14H26N2O2 — CID 75865148

IUPAC1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CCCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(15-11-13-9-6-10-18-13)16-12-7-4-2-1-3-5-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyCHVPSXZGXJQGKP-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea

1-cyclooctyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 75865148) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
PubChem CID75865148
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CCCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(15-11-13-9-6-10-18-13)16-12-7-4-2-1-3-5-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKeyCHVPSXZGXJQGKP-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
1-(azepan-3-yl)-3-(oxan-2-ylmethyl)urea
CID 117235074
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
1-cyclohexyl-3-(morpholin-2-ylmethyl)urea
CID 43604010
3-(oxan-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032045
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
N-cyclooctyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119674119

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea (CID 75865148) is 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)NC1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is CHVPSXZGXJQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(15-11-13-9-6-10-18-13)16-12-7-4-2-1-3-5-8-12/h12-13H,1-11H2,(H2,15,16,17).
What are the key properties of 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea?
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 75865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).