1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea

C17H28N2O2 — CID 166351582

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea
SMILESO=C(NCCC1CC2CCC1C2)NCCC12CC(CO1)C2
InChIInChI=1S/C17H28N2O2/c20-16(19-6-4-17-9-13(10-17)11-21-17)18-5-3-15-8-12-1-2-14(15)7-12/h12-15H,1-11H2,(H2,18,19,20)
InChIKeyWZUMIRNNKVACHR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea (PubChem CID 166351582) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea
PubChem CID166351582
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea
SMILESO=C(NCCC1CC2CCC1C2)NCCC12CC(CO1)C2
InChIInChI=1S/C17H28N2O2/c20-16(19-6-4-17-9-13(10-17)11-21-17)18-5-3-15-8-12-1-2-14(15)7-12/h12-15H,1-11H2,(H2,18,19,20)
InChIKeyWZUMIRNNKVACHR-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.68
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-(3-hydroxy-1-adamantyl)ethyl]urea
CID 166351578
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
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-3-methylbutan-2-yl)urea
CID 111454649
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-oxatricyclo[5.4.0.01,5]undecan-8-yl)urea
CID 166351583
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111454648
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea (CID 166351582) is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea is O=C(NCCC1CC2CCC1C2)NCCC12CC(CO1)C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea?
The InChIKey is WZUMIRNNKVACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(19-6-4-17-9-13(10-17)11-21-17)18-5-3-15-8-12-1-2-14(15)7-12/h12-15H,1-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea?
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea has a molecular weight of 292.42 g/mol, XLogP of 2.68, 6 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-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]urea is sourced from PubChem (CID 166351582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).