1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea

C24H33ClN2O2 — CID 16756959

IUPAC1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O2/c25-22-4-2-1-3-19(22)15-29-21-7-5-20(6-8-21)26-23(28)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,20-21H,5-15H2,(H2,26,27,28)
InChIKeyCCVTVCRJSWYIRR-UHFFFAOYSA-N
MW416.99 g/mol
LogP5.44
Rot. Bonds5

About 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea

1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea (PubChem CID 16756959) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea
PubChem CID16756959
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC Name1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O2/c25-22-4-2-1-3-19(22)15-29-21-7-5-20(6-8-21)26-23(28)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,20-21H,5-15H2,(H2,26,27,28)
InChIKeyCCVTVCRJSWYIRR-UHFFFAOYSA-N
XLogP5.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.99
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea (CID 16756959) is 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea is O=C(NC1CCC(OCc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea?
The InChIKey is CCVTVCRJSWYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O2/c25-22-4-2-1-3-19(22)15-29-21-7-5-20(6-8-21)26-23(28)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,16-18,20-21H,5-15H2,(H2,26,27,28).
What are the key properties of 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea has a molecular weight of 416.99 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[4-[(2-chlorophenyl)methoxy]cyclohexyl]urea is sourced from PubChem (CID 16756959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).