1-(1-adamantyl)-3-benzylurea

C18H24N2O — CID 3758167

IUPAC1-(1-adamantyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21)
InChIKeyMPIRFYYPSNNZEV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.45
Rot. Bonds3

About 1-(1-adamantyl)-3-benzylurea

1-(1-adamantyl)-3-benzylurea (PubChem CID 3758167) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-benzylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-benzylurea
PubChem CID3758167
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-adamantyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21)
InChIKeyMPIRFYYPSNNZEV-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.45
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-benzylurea?
The IUPAC name of 1-(1-adamantyl)-3-benzylurea (CID 3758167) is 1-(1-adamantyl)-3-benzylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-benzylurea?
The canonical SMILES for 1-(1-adamantyl)-3-benzylurea is O=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-benzylurea?
The InChIKey is MPIRFYYPSNNZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-benzylurea?
1-(1-adamantyl)-3-benzylurea has a molecular weight of 284.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-benzylurea is sourced from PubChem (CID 3758167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).