1-(1-adamantyl)-3-(3-hydroxyphenyl)urea

C17H22N2O2 — CID 22932424

IUPAC1-(1-adamantyl)-3-(3-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(O)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2/c20-15-3-1-2-14(7-15)18-16(21)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,20H,4-6,8-10H2,(H2,18,19,21)
InChIKeyFBTNUWJYRWKVCD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.48
Rot. Bonds2

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

1-(1-adamantyl)-3-(3-hydroxyphenyl)urea (PubChem CID 22932424) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-hydroxyphenyl)urea
PubChem CID22932424
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(1-adamantyl)-3-(3-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(O)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O2/c20-15-3-1-2-14(7-15)18-16(21)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,20H,4-6,8-10H2,(H2,18,19,21)
InChIKeyFBTNUWJYRWKVCD-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantan-1-yl-3-(2-hydroxy-phenyl)-urea
CID 22932333
1-Adamantan-1-yl-3-(4-hydroxy-phenyl)-urea
CID 28787671
1-(1-Adamantyl)-3-(3-phenoxyphenyl)urea
CID 59168676
1-Adamantan-1-yl-3-(3-methoxy-phenyl)-urea
CID 44582391
N-[(3-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
CID 4658353
1-Adamantan-1-yl-3-{3-[2-(2-ethoxyethoxy)ethoxy]phenyl}urea
CID 23631822
Acetic acid 3-(3-adamantan-1-yl-ureido)-phenyl ester
CID 44582417
[4-(1-Adamantylcarbamoylamino)phenyl] sulfamate
CID 70688360
3-(3-Hydroxyphenyl)-1-phenylurea
CID 3614600
1-(1-Adamantyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 70683764
1-(1-Adamantyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 70694280
1-(1-Adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea (CID 22932424) is 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea is O=C(Nc1cccc(O)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea?
The InChIKey is FBTNUWJYRWKVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-15-3-1-2-14(7-15)18-16(21)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,20H,4-6,8-10H2,(H2,18,19,21).
What are the key properties of 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea?
1-(1-adamantyl)-3-(3-hydroxyphenyl)urea has a molecular weight of 286.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 22932424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).