4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione

C19H29NO2 — CID 10804413

IUPAC4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione
SMILESCN1C(=O)C(=O)C1C(C(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(14-15(21)17(22)20(14)4)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14,16H,5-10H2,1-4H3
InChIKeyZJROBECHIZCFTB-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.27
Rot. Bonds2

About 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione

4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione (PubChem CID 10804413) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione.

Molecular Properties

Compound Name4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione
PubChem CID10804413
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione
SMILESCN1C(=O)C(=O)C1C(C(C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO2/c1-18(2,3)16(14-15(21)17(22)20(14)4)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14,16H,5-10H2,1-4H3
InChIKeyZJROBECHIZCFTB-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione?
The IUPAC name of 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione (CID 10804413) is 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione.
What is the SMILES notation for 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione?
The canonical SMILES for 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione is CN1C(=O)C(=O)C1C(C(C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione?
The InChIKey is ZJROBECHIZCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2,3)16(14-15(21)17(22)20(14)4)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione?
4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione has a molecular weight of 303.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-adamantyl)-2,2-dimethylpropyl]-1-methylazetidine-2,3-dione is sourced from PubChem (CID 10804413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).