1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea

C24H34N2O2 — CID 11494688

IUPAC1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea
SMILESO=C(NC1CCC(OCc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h1-5,18-22H,6-16H2,(H2,25,26,27)
InChIKeyNHFGOQWLXHVPQK-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.78
Rot. Bonds5

About 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea

1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea (PubChem CID 11494688) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea
PubChem CID11494688
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea
SMILESO=C(NC1CCC(OCc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h1-5,18-22H,6-16H2,(H2,25,26,27)
InChIKeyNHFGOQWLXHVPQK-UHFFFAOYSA-N
XLogP4.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,6-Difluorophenyl)methoxy]cyclohexyl]-3-(3-phenylpropyl)urea
CID 59168604
1-Adamantan-1-yl-3-[4-(2,6-difluoro-benzyloxy)-cyclohexyl]-urea
CID 11546213
cis-1-Adamantan-1-yl-3-[4-(4-methoxyphenoxy)cyclohexyl]-urea
CID 11553060
1-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11596176
[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-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 benzyl ester
CID 44422271
1-(1-Adamantyl)-3-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]urea
CID 59168645

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea (CID 11494688) is 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea is O=C(NC1CCC(OCc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea?
The InChIKey is NHFGOQWLXHVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c27-23(26-24-13-18-10-19(14-24)12-20(11-18)15-24)25-21-6-8-22(9-7-21)28-16-17-4-2-1-3-5-17/h1-5,18-22H,6-16H2,(H2,25,26,27).
What are the key properties of 1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea?
1-(1-adamantyl)-3-(4-phenylmethoxycyclohexyl)urea has a molecular weight of 382.55 g/mol, XLogP of 4.78, 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-phenylmethoxycyclohexyl)urea is sourced from PubChem (CID 11494688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).