1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea

C24H34N2O3 — CID 11553060

IUPAC1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea
SMILESCOc1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)
InChIKeyHHYVTEGSPDINKC-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.65
Rot. Bonds5

About 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea

1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea (PubChem CID 11553060) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea
PubChem CID11553060
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea
SMILESCOc1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27)
InChIKeyHHYVTEGSPDINKC-UHFFFAOYSA-N
XLogP4.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-1-Adamantan-1-yl-3-(4-benzyloxycyclohexyl)urea
CID 11494688
1-(1-Adamantyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11596176
1-(1-Adamantyl)-3-[4-(3,5-difluorophenoxy)cyclohexyl]urea
CID 11603817
1-Adamantan-1-yl-3-[4-(4-fluorophenoxy)butyl]urea
CID 16756389
1-(1-Adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea
CID 118719463
4-(3-Adamantan-1-yl-ureido)-butyric acid 4-(2-ethoxycarbonyl-vinyl)-phenyl ester
CID 11340005
1-Adamantan-1-yl-3-(5-{2-[2-(4-ethylphenoxy)ethoxy]ethoxy}pentyl)urea
CID 11532957
cis-1-Adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea
CID 11641460
cis-1-Adamantan-1-yl-3-[4-(4-bromophenoxy)cyclohexyl]urea
CID 16756171
1-(2-Adamantan-1-yl-ethyl)-3-[2-(4-benzyloxy-phenyl)-ethyl]-urea
CID 25014862
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(3-phenylpropyl)urea
CID 59168663
1-Adamantan-1-yl-3-[4-(4-fluorophenoxy)but-2-ynyl]urea
CID 16756391

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea (CID 11553060) is 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea is COc1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea?
The InChIKey is HHYVTEGSPDINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-28-20-6-8-22(9-7-20)29-21-4-2-19(3-5-21)25-23(27)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h6-9,16-19,21H,2-5,10-15H2,1H3,(H2,25,26,27).
What are the key properties of 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea?
1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea has a molecular weight of 398.55 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[4-(4-methoxyphenoxy)cyclohexyl]urea is sourced from PubChem (CID 11553060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).