2-(1-adamantylamino)-1-phenylethanone

C18H23NO — CID 14291475

IUPAC2-(1-adamantylamino)-1-phenylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)12-19-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,19H,6-12H2
InChIKeyCFGJHLAQCRCGLN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.43
Rot. Bonds4

About 2-(1-adamantylamino)-1-phenylethanone

2-(1-adamantylamino)-1-phenylethanone (PubChem CID 14291475) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-phenylethanone
PubChem CID14291475
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(1-adamantylamino)-1-phenylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)12-19-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,19H,6-12H2
InChIKeyCFGJHLAQCRCGLN-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-phenylethanone?
The IUPAC name of 2-(1-adamantylamino)-1-phenylethanone (CID 14291475) is 2-(1-adamantylamino)-1-phenylethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-phenylethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-phenylethanone is O=C(CNC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 2-(1-adamantylamino)-1-phenylethanone?
The InChIKey is CFGJHLAQCRCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-17(16-4-2-1-3-5-16)12-19-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15,19H,6-12H2.
What are the key properties of 2-(1-adamantylamino)-1-phenylethanone?
2-(1-adamantylamino)-1-phenylethanone has a molecular weight of 269.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-phenylethanone is sourced from PubChem (CID 14291475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).