1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea

C20H32N2O2 — CID 166351583

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea
SMILESO=C(NCCC1CC2CCC1C2)NC1CCCC23OCCC2CC13
InChIInChI=1S/C20H32N2O2/c23-19(21-8-5-15-11-13-3-4-14(15)10-13)22-18-2-1-7-20-16(6-9-24-20)12-17(18)20/h13-18H,1-12H2,(H2,21,22,23)
InChIKeyJCXGXJUQNHWUFM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea (PubChem CID 166351583) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea
PubChem CID166351583
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea
SMILESO=C(NCCC1CC2CCC1C2)NC1CCCC23OCCC2CC13
InChIInChI=1S/C20H32N2O2/c23-19(21-8-5-15-11-13-3-4-14(15)10-13)22-18-2-1-7-20-16(6-9-24-20)12-17(18)20/h13-18H,1-12H2,(H2,21,22,23)
InChIKeyJCXGXJUQNHWUFM-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea
CID 166351582
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618595
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea
CID 166351578
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
4-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N,N-diethylbutanamide
CID 78892210
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454648
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
CID 26974944
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea (CID 166351583) is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea is O=C(NCCC1CC2CCC1C2)NC1CCCC23OCCC2CC13.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea?
The InChIKey is JCXGXJUQNHWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19(21-8-5-15-11-13-3-4-14(15)10-13)22-18-2-1-7-20-16(6-9-24-20)12-17(18)20/h13-18H,1-12H2,(H2,21,22,23).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea?
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea has a molecular weight of 332.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea is sourced from PubChem (CID 166351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).