1-(1-adamantyl)-3-(3-benzoylphenyl)urea

C24H26N2O2 — CID 59168639

IUPAC1-(1-adamantyl)-3-(3-benzoylphenyl)urea
SMILESO=C(Nc1cccc(C(=O)c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H26N2O2/c27-22(19-5-2-1-3-6-19)20-7-4-8-21(12-20)25-23(28)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H2,25,26,28)
InChIKeyVSDFRJXUYGQBEN-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.01
Rot. Bonds4

About 1-(1-adamantyl)-3-(3-benzoylphenyl)urea

1-(1-adamantyl)-3-(3-benzoylphenyl)urea (PubChem CID 59168639) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-benzoylphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-benzoylphenyl)urea
PubChem CID59168639
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(1-adamantyl)-3-(3-benzoylphenyl)urea
SMILESO=C(Nc1cccc(C(=O)c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H26N2O2/c27-22(19-5-2-1-3-6-19)20-7-4-8-21(12-20)25-23(28)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H2,25,26,28)
InChIKeyVSDFRJXUYGQBEN-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea
CID 143220096
1-(4-tert-butyl-1-adamantyl)-3-phenylurea
CID 134204473
1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895563
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
1-(1-adamantyl)-3-(2,3-dithiophen-2-ylquinoxalin-6-yl)urea
CID 138514843
1-(1-adamantyl)-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 22932395
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3-benzoylphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-benzoylphenyl)urea (CID 59168639) is 1-(1-adamantyl)-3-(3-benzoylphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-benzoylphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-benzoylphenyl)urea is O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-benzoylphenyl)urea?
The InChIKey is VSDFRJXUYGQBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-22(19-5-2-1-3-6-19)20-7-4-8-21(12-20)25-23(28)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2,(H2,25,26,28).
What are the key properties of 1-(1-adamantyl)-3-(3-benzoylphenyl)urea?
1-(1-adamantyl)-3-(3-benzoylphenyl)urea has a molecular weight of 374.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-benzoylphenyl)urea is sourced from PubChem (CID 59168639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).