1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one

C24H33NO — CID 46185365

IUPAC1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one
SMILESCC(C)c1ccc(C2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)cc1
InChIInChI=1S/C24H33NO/c1-14(2)17-5-7-18(8-6-17)22-24(3,4)23(26)25(22)21-19-10-15-9-16(12-19)13-20(21)11-15/h5-8,14-16,19-22H,9-13H2,1-4H3
InChIKeyCETRYZOIWXRMLW-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.54
Rot. Bonds3

About 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one

1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one (PubChem CID 46185365) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one
PubChem CID46185365
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one
SMILESCC(C)c1ccc(C2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)cc1
InChIInChI=1S/C24H33NO/c1-14(2)17-5-7-18(8-6-17)22-24(3,4)23(26)25(22)21-19-10-15-9-16(12-19)13-20(21)11-15/h5-8,14-16,19-22H,9-13H2,1-4H3
InChIKeyCETRYZOIWXRMLW-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one?
The IUPAC name of 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one (CID 46185365) is 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one is CC(C)c1ccc(C2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)cc1.
What is the InChIKey of 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one?
The InChIKey is CETRYZOIWXRMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-14(2)17-5-7-18(8-6-17)22-24(3,4)23(26)25(22)21-19-10-15-9-16(12-19)13-20(21)11-15/h5-8,14-16,19-22H,9-13H2,1-4H3.
What are the key properties of 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one?
1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one has a molecular weight of 351.53 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3,3-dimethyl-4-(4-propan-2-ylphenyl)azetidin-2-one is sourced from PubChem (CID 46185365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).