1-(1-adamantyl)-3-cyclohexylurea

C17H28N2O — CID 5029871

IUPAC1-(1-adamantyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)
InChIKeyVESXWSWSGQONHC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.59
Rot. Bonds2

About 1-(1-adamantyl)-3-cyclohexylurea

1-(1-adamantyl)-3-cyclohexylurea (PubChem CID 5029871) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-cyclohexylurea
PubChem CID5029871
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(1-adamantyl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)
InChIKeyVESXWSWSGQONHC-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.59
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-cyclohexylurea?
The IUPAC name of 1-(1-adamantyl)-3-cyclohexylurea (CID 5029871) is 1-(1-adamantyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-adamantyl)-3-cyclohexylurea is O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-cyclohexylurea?
The InChIKey is VESXWSWSGQONHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-cyclohexylurea?
1-(1-adamantyl)-3-cyclohexylurea has a molecular weight of 276.42 g/mol, XLogP of 3.59, 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-cyclohexylurea is sourced from PubChem (CID 5029871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).