1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea

C24H32F2N2O2 — CID 118719461

IUPAC1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32F2N2O2/c25-19-8-18(9-20(26)10-19)14-30-22-3-1-21(2-4-22)27-23(29)28-24-11-15-5-16(12-24)7-17(6-15)13-24/h8-10,15-17,21-22H,1-7,11-14H2,(H2,27,28,29)
InChIKeyMACCLBHQIWJGKQ-UHFFFAOYSA-N
MW418.53 g/mol
LogP5.06
Rot. Bonds5

About 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea

1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea (PubChem CID 118719461) has the molecular formula C24H32F2N2O2 and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
PubChem CID118719461
Molecular FormulaC24H32F2N2O2
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32F2N2O2/c25-19-8-18(9-20(26)10-19)14-30-22-3-1-21(2-4-22)27-23(29)28-24-11-15-5-16(12-24)7-17(6-15)13-24/h8-10,15-17,21-22H,1-7,11-14H2,(H2,27,28,29)
InChIKeyMACCLBHQIWJGKQ-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea with MolForge

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Related Compounds

1-[4-[(2,6-Difluorophenyl)methoxy]cyclohexyl]-3-(3-phenylpropyl)urea
CID 59168604
cis-1-Adamantan-1-yl-3-(4-benzyloxycyclohexyl)urea
CID 11494688
1-Adamantan-1-yl-3-[4-(2,6-difluoro-benzyloxy)-cyclohexyl]-urea
CID 11546213
1-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11596176
1-(1-Adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
CID 11603817
[4-(1-Adamantylcarbamoylamino)cyclohexyl] benzoate
CID 59168665
cis-1-Adamantan-1-yl-3-[4-(4-bromobenzyloxy)cyclohexyl]-urea
CID 11525463
cis-1-Adamantan-1-yl-3-[4-(2,6-dichlorobenzyloxy)cyclohexyl]-urea
CID 11604843
[2-(2-Ethoxyethoxy)-1-phenylethyl] 4-(1-adamantylcarbamoylamino)butanoate
CID 11619802
cis-1-Adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea
CID 11641460
cis-1-Adamantan-1-yl-3-[4-(2-methylbenzyloxy)cyclohexyl]-urea
CID 16755961
cis-1-Adamantan-1-yl-3-[4-(2-chlorobenzyloxy)cyclohexyl]-urea
CID 16756959

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea (CID 118719461) is 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea is O=C(NC1CCC(OCc2cc(F)cc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea?
The InChIKey is MACCLBHQIWJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N2O2/c25-19-8-18(9-20(26)10-19)14-30-22-3-1-21(2-4-22)27-23(29)28-24-11-15-5-16(12-24)7-17(6-15)13-24/h8-10,15-17,21-22H,1-7,11-14H2,(H2,27,28,29).
What are the key properties of 1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea has a molecular weight of 418.53 g/mol, XLogP of 5.06, 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-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea is sourced from PubChem (CID 118719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).