1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea

C24H32Cl2N2O2 — CID 11604843

IUPAC1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2c(Cl)cccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32Cl2N2O2/c25-21-2-1-3-22(26)20(21)14-30-19-6-4-18(5-7-19)27-23(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-3,15-19H,4-14H2,(H2,27,28,29)
InChIKeyFLGVCBIGIPFNLJ-UHFFFAOYSA-N
MW451.44 g/mol
LogP6.09
Rot. Bonds5

About 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea

1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea (PubChem CID 11604843) has the molecular formula C24H32Cl2N2O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea
PubChem CID11604843
Molecular FormulaC24H32Cl2N2O2
Molecular Weight451.44 g/mol
Exact Mass450.18
IUPAC Name1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2c(Cl)cccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32Cl2N2O2/c25-21-2-1-3-22(26)20(21)14-30-19-6-4-18(5-7-19)27-23(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-3,15-19H,4-14H2,(H2,27,28,29)
InChIKeyFLGVCBIGIPFNLJ-UHFFFAOYSA-N
XLogP6.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
12-(3-Adamantan-1-yl-ureido)-dodecanoic acid 2-chloro-benzyl ester
CID 44422273
1-(1-Adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
CID 118719461
1-(1-Adamantyl)-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexyl]urea
CID 59168605
1-(1-Adamantyl)-3-[4-[(2-fluorophenyl)methoxy]cyclohexyl]urea
CID 59168749
N-(1-adamantyl)-N'-{2-[(4-chlorobenzyl)oxy]ethyl}urea
CID 5295912
4-(2,4'-dichlorobenzhydryloxy)-N-(1-adamantyl)piperidine-1-carboxamide
CID 11214442
4-(2,4,4'-trichlorobenzhydryloxy)-N-(cyclohexyl)piperidine-1-carboxamide
CID 11386398
N-(2-adamantyl)-3-[bis(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68902399

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea (CID 11604843) is 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea is O=C(NC1CCC(OCc2c(Cl)cccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea?
The InChIKey is FLGVCBIGIPFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N2O2/c25-21-2-1-3-22(26)20(21)14-30-19-6-4-18(5-7-19)27-23(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-3,15-19H,4-14H2,(H2,27,28,29).
What are the key properties of 1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea has a molecular weight of 451.44 g/mol, XLogP of 6.09, 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-[(2,6-dichlorophenyl)methoxy]cyclohexyl]urea is sourced from PubChem (CID 11604843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).