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

C24H33BrN2O2 — CID 11525463

IUPAC1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2ccc(Br)cc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33BrN2O2/c25-20-3-1-16(2-4-20)15-29-22-7-5-21(6-8-22)26-23(28)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21-22H,5-15H2,(H2,26,27,28)
InChIKeyGAADXYWKPGJENJ-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.54
Rot. Bonds5

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

1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea (PubChem CID 11525463) has the molecular formula C24H33BrN2O2 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
PubChem CID11525463
Molecular FormulaC24H33BrN2O2
Molecular Weight461.44 g/mol
Exact Mass460.17
IUPAC Name1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea
SMILESO=C(NC1CCC(OCc2ccc(Br)cc2)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33BrN2O2/c25-20-3-1-16(2-4-20)15-29-22-7-5-21(6-8-22)26-23(28)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21-22H,5-15H2,(H2,26,27,28)
InChIKeyGAADXYWKPGJENJ-UHFFFAOYSA-N
XLogP5.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-3-[4-[(4-bromophenyl)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-(1-adamantyl)-3-cyclopropylurea
CID 3128946
[4-(1-adamantylcarbamoylamino)cyclohexyl] benzoate
CID 59168665
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
ethyl 7-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxyheptanoate
CID 11655301
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
3-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
CID 16757353
1-(1-adamantyl)-3-(4-oxocyclohexyl)urea
CID 16756507
N-(1-adamantyl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 9040085
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
pentyl 4-(1-adamantylcarbamoylamino)cyclohexane-1-carboxylate
CID 59168661
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea (CID 11525463) is 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea is O=C(NC1CCC(OCc2ccc(Br)cc2)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea?
The InChIKey is GAADXYWKPGJENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN2O2/c25-20-3-1-16(2-4-20)15-29-22-7-5-21(6-8-22)26-23(28)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,21-22H,5-15H2,(H2,26,27,28).
What are the key properties of 1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea?
1-(1-adamantyl)-3-[4-[(4-bromophenyl)methoxy]cyclohexyl]urea has a molecular weight of 461.44 g/mol, XLogP of 5.54, 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-[(4-bromophenyl)methoxy]cyclohexyl]urea is sourced from PubChem (CID 11525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).