[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate

C24H30N2O3 — CID 87308337

IUPAC[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(OC=O)(C4)C3)C1C1(c2ccccn2)CC1
InChIInChI=1S/C24H30N2O3/c1-22(2)20(24(6-7-24)18-5-3-4-8-25-18)26(21(22)28)19-16-9-15-10-17(19)13-23(11-15,12-16)29-14-27/h3-5,8,14-17,19-20H,6-7,9-13H2,1-2H3
InChIKeyZEPOBZYHMMCUNV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.47
Rot. Bonds5

About [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate

[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate (PubChem CID 87308337) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate.

Molecular Properties

Compound Name[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate
PubChem CID87308337
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(OC=O)(C4)C3)C1C1(c2ccccn2)CC1
InChIInChI=1S/C24H30N2O3/c1-22(2)20(24(6-7-24)18-5-3-4-8-25-18)26(21(22)28)19-16-9-15-10-17(19)13-23(11-15,12-16)29-14-27/h3-5,8,14-17,19-20H,6-7,9-13H2,1-2H3
InChIKeyZEPOBZYHMMCUNV-UHFFFAOYSA-N
XLogP3.47
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate 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 [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate?
The IUPAC name of [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate (CID 87308337) is [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate.
What is the SMILES notation for [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate?
The canonical SMILES for [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate is CC1(C)C(=O)N(C2C3CC4CC2CC(OC=O)(C4)C3)C1C1(c2ccccn2)CC1.
What is the InChIKey of [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate?
The InChIKey is ZEPOBZYHMMCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-22(2)20(24(6-7-24)18-5-3-4-8-25-18)26(21(22)28)19-16-9-15-10-17(19)13-23(11-15,12-16)29-14-27/h3-5,8,14-17,19-20H,6-7,9-13H2,1-2H3.
What are the key properties of [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate?
[4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate has a molecular weight of 394.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,3-dimethyl-2-oxo-4-(1-pyridin-2-ylcyclopropyl)azetidin-1-yl]-1-adamantyl] formate is sourced from PubChem (CID 87308337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).