1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea

C24H30N2O2 — CID 143220096

IUPAC1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea
SMILESCC1CC2CC(C)CC(NC(=O)Nc3cccc(Oc4ccccc4)c3)(C1)C2
InChIInChI=1S/C24H30N2O2/c1-17-11-19-12-18(2)15-24(14-17,16-19)26-23(27)25-20-7-6-10-22(13-20)28-21-8-4-3-5-9-21/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H2,25,26,27)
InChIKeyGDIKZNINHHJQCJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.21
Rot. Bonds4

About 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea

1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea (PubChem CID 143220096) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea
PubChem CID143220096
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea
SMILESCC1CC2CC(C)CC(NC(=O)Nc3cccc(Oc4ccccc4)c3)(C1)C2
InChIInChI=1S/C24H30N2O2/c1-17-11-19-12-18(2)15-24(14-17,16-19)26-23(27)25-20-7-6-10-22(13-20)28-21-8-4-3-5-9-21/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H2,25,26,27)
InChIKeyGDIKZNINHHJQCJ-UHFFFAOYSA-N
XLogP6.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea with MolForge

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Related Compounds

3-[3-(1-adamantylcarbamoylamino)phenoxy]benzoic acid
CID 25014864
1-(1-adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-(1-adamantyl)-3-(3-benzoylphenyl)urea
CID 59168639
2-[4-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamoylamino]phenoxy]-2-methylpropanoic acid;ethane
CID 143231184
1-(4-tert-butyl-1-adamantyl)-3-phenylurea
CID 134204473
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
1-(1-adamantyl)-3-(3,4-diethoxyphenyl)urea
CID 108896002

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea?
The IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea (CID 143220096) is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea.
What is the SMILES notation for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea?
The canonical SMILES for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea is CC1CC2CC(C)CC(NC(=O)Nc3cccc(Oc4ccccc4)c3)(C1)C2.
What is the InChIKey of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea?
The InChIKey is GDIKZNINHHJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-11-19-12-18(2)15-24(14-17,16-19)26-23(27)25-20-7-6-10-22(13-20)28-21-8-4-3-5-9-21/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea?
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea has a molecular weight of 378.52 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea is sourced from PubChem (CID 143220096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).