1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea

C24H34N2O3 — CID 118719463

IUPAC1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(Oc2ccc(CO)cc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c27-15-16-1-5-21(6-2-16)29-22-7-3-20(4-8-22)25-23(28)26-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-2,5-6,17-20,22,27H,3-4,7-15H2,(H2,25,26,28)
InChIKeyWZEWIADRMYQUAY-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.14
Rot. Bonds5

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

1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea (PubChem CID 118719463) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea
PubChem CID118719463
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(Oc2ccc(CO)cc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c27-15-16-1-5-21(6-2-16)29-22-7-3-20(4-8-22)25-23(28)26-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-2,5-6,17-20,22,27H,3-4,7-15H2,(H2,25,26,28)
InChIKeyWZEWIADRMYQUAY-UHFFFAOYSA-N
XLogP4.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid
CID 16038368
cis-1-Adamantan-1-yl-3-[4-(4-methoxyphenoxy)cyclohexyl]-urea
CID 11553060
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-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
1-(2-Adamantan-1-yl-ethyl)-3-[2-(4-benzyloxy-phenyl)-ethyl]-urea
CID 25014862
[[4-[2-(2-Ethoxyethoxy)ethoxy]phenyl]-phenylmethyl] 4-(1-adamantylcarbamoylamino)butanoate
CID 59168758
Ethyl 4-[4-(1-adamantylcarbamoylamino)cyclohexoxy]benzoate
CID 16756173
1-(1-Adamantyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 2874375
1-(1-Adamantyl)-3-[4-(3-fluorophenoxy)cyclohexyl]urea
CID 70694284

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea (CID 118719463) is 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea is O=C(NC1CCC(Oc2ccc(CO)cc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea?
The InChIKey is WZEWIADRMYQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c27-15-16-1-5-21(6-2-16)29-22-7-3-20(4-8-22)25-23(28)26-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-2,5-6,17-20,22,27H,3-4,7-15H2,(H2,25,26,28).
What are the key properties of 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea has a molecular weight of 398.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]urea is sourced from PubChem (CID 118719463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).