1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea

C22H36N2O2 — CID 166351578

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea
SMILESO=C(NCCC1CC2CCC1C2)NCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C22H36N2O2/c25-20(23-5-3-19-9-15-1-2-18(19)8-15)24-6-4-21-10-16-7-17(11-21)13-22(26,12-16)14-21/h15-19,26H,1-14H2,(H2,23,24,25)
InChIKeyCYSVOQWOVLUFCE-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea (PubChem CID 166351578) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea
PubChem CID166351578
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea
SMILESO=C(NCCC1CC2CCC1C2)NCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C22H36N2O2/c25-20(23-5-3-19-9-15-1-2-18(19)8-15)24-6-4-21-10-16-7-17(11-21)13-22(26,12-16)14-21/h15-19,26H,1-14H2,(H2,23,24,25)
InChIKeyCYSVOQWOVLUFCE-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea (CID 166351578) is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea is O=C(NCCC1CC2CCC1C2)NCCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea?
The InChIKey is CYSVOQWOVLUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-20(23-5-3-19-9-15-1-2-18(19)8-15)24-6-4-21-10-16-7-17(11-21)13-22(26,12-16)14-21/h15-19,26H,1-14H2,(H2,23,24,25).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea?
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-hydroxy-1-adamantyl)ethyl]urea has a molecular weight of 360.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 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-(3-hydroxy-1-adamantyl)ethyl]urea is sourced from PubChem (CID 166351578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).