2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one

C24H28N2O2 — CID 67303423

IUPAC2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)N1c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O2/c1-23(2)22(27)25(21-18-9-15-10-19(21)14-24(28,12-15)13-18)26(23)20-8-7-16-5-3-4-6-17(16)11-20/h3-8,11,15,18-19,21,28H,9-10,12-14H2,1-2H3/t15?,18-,19-,21?,24?/m0/s1
InChIKeyZNKBUCIDTJDXPN-YJLZUROBSA-N
MW376.50 g/mol
LogP4.12
Rot. Bonds2

About 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one

2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one (PubChem CID 67303423) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one.

Molecular Properties

Compound Name2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one
PubChem CID67303423
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one
SMILESCC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)N1c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O2/c1-23(2)22(27)25(21-18-9-15-10-19(21)14-24(28,12-15)13-18)26(23)20-8-7-16-5-3-4-6-17(16)11-20/h3-8,11,15,18-19,21,28H,9-10,12-14H2,1-2H3/t15?,18-,19-,21?,24?/m0/s1
InChIKeyZNKBUCIDTJDXPN-YJLZUROBSA-N
XLogP4.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one?
The IUPAC name of 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one (CID 67303423) is 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one.
What is the SMILES notation for 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one?
The canonical SMILES for 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one is CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)N1c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one?
The InChIKey is ZNKBUCIDTJDXPN-YJLZUROBSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-23(2)22(27)25(21-18-9-15-10-19(21)14-24(28,12-15)13-18)26(23)20-8-7-16-5-3-4-6-17(16)11-20/h3-8,11,15,18-19,21,28H,9-10,12-14H2,1-2H3/t15?,18-,19-,21?,24?/m0/s1.
What are the key properties of 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one?
2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one has a molecular weight of 376.50 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-5-hydroxy-2-adamantyl]-4,4-dimethyl-1-naphthalen-2-yldiazetidin-3-one is sourced from PubChem (CID 67303423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).