1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea

C25H36N2O2 — CID 16755961

IUPAC1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea
SMILESCc1ccccc1COC1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H36N2O2/c1-17-4-2-3-5-21(17)16-29-23-8-6-22(7-9-23)26-24(28)27-25-13-18-10-19(14-25)12-20(11-18)15-25/h2-5,18-20,22-23H,6-16H2,1H3,(H2,26,27,28)
InChIKeyAEUIUCYFDYDPMI-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.09
Rot. Bonds5

About 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea

1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea (PubChem CID 16755961) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea
PubChem CID16755961
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea
SMILESCc1ccccc1COC1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H36N2O2/c1-17-4-2-3-5-21(17)16-29-23-8-6-22(7-9-23)26-24(28)27-25-13-18-10-19(14-25)12-20(11-18)15-25/h2-5,18-20,22-23H,6-16H2,1H3,(H2,26,27,28)
InChIKeyAEUIUCYFDYDPMI-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[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-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
[2-(2-Ethoxyethoxy)-1-phenylethyl] 3-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 70688854
1-(1-Adamantyl)-3-[4-[(3,5-difluorophenyl)methoxy]cyclohexyl]urea
CID 118719461

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea (CID 16755961) is 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea is Cc1ccccc1COC1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea?
The InChIKey is AEUIUCYFDYDPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-17-4-2-3-5-21(17)16-29-23-8-6-22(7-9-23)26-24(28)27-25-13-18-10-19(14-25)12-20(11-18)15-25/h2-5,18-20,22-23H,6-16H2,1H3,(H2,26,27,28).
What are the key properties of 1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[(2-methylphenyl)methoxy]cyclohexyl]urea has a molecular weight of 396.58 g/mol, XLogP of 5.09, 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-methylphenyl)methoxy]cyclohexyl]urea is sourced from PubChem (CID 16755961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).