1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea

C17H22N2O3 — CID 108895563

IUPAC1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea
SMILESO=C(Nc1cc(O)cc(O)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O3/c20-14-4-13(5-15(21)6-14)18-16(22)19-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12,20-21H,1-3,7-9H2,(H2,18,19,22)
InChIKeyDHEAQJHUDRGTMU-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.19
Rot. Bonds2

About 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea

1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea (PubChem CID 108895563) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea
PubChem CID108895563
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea
SMILESO=C(Nc1cc(O)cc(O)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O3/c20-14-4-13(5-15(21)6-14)18-16(22)19-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12,20-21H,1-3,7-9H2,(H2,18,19,22)
InChIKeyDHEAQJHUDRGTMU-UHFFFAOYSA-N
XLogP3.19
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-(3,5-difluoro-4-hydroxyphenyl)urea
CID 22932395
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
1-(1-adamantyl)-3-[4-(diaminomethylideneamino)phenyl]urea
CID 22141500
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
1-(1-adamantyl)-3-(3-benzoylphenyl)urea
CID 59168639
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
CID 62901081
1-(1-adamantyl)-3-[4-(4-methoxypiperidin-1-yl)phenyl]urea
CID 90595914
1-(1-adamantyl)-3-(3,4-diethoxyphenyl)urea
CID 108896002
1-(1-adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea (CID 108895563) is 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea is O=C(Nc1cc(O)cc(O)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea?
The InChIKey is DHEAQJHUDRGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14-4-13(5-15(21)6-14)18-16(22)19-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12,20-21H,1-3,7-9H2,(H2,18,19,22).
What are the key properties of 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea?
1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea has a molecular weight of 302.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea is sourced from PubChem (CID 108895563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).