1-(1-adamantyl)-3-phenylurea

C17H22N2O — CID 3090774

IUPAC1-(1-adamantyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20)
InChIKeyBOKJLWGPHOTBQZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.78
Rot. Bonds2

About 1-(1-adamantyl)-3-phenylurea

1-(1-adamantyl)-3-phenylurea (PubChem CID 3090774) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-phenylurea
PubChem CID3090774
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(1-adamantyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20)
InChIKeyBOKJLWGPHOTBQZ-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-phenylurea?
The IUPAC name of 1-(1-adamantyl)-3-phenylurea (CID 3090774) is 1-(1-adamantyl)-3-phenylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-phenylurea?
The canonical SMILES for 1-(1-adamantyl)-3-phenylurea is O=C(Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-phenylurea?
The InChIKey is BOKJLWGPHOTBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-phenylurea?
1-(1-adamantyl)-3-phenylurea has a molecular weight of 270.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-phenylurea is sourced from PubChem (CID 3090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).