methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate

C24H32N2O4 — CID 59336902

IUPACmethyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1
InChIInChI=1S/C24H32N2O4/c1-25(23(29)30-2)20-13-26(14-20)21(27)12-24(17-6-4-3-5-7-17)18-8-15-9-19(24)11-16(10-18)22(15)28/h3-7,15-16,18-20,22,28H,8-14H2,1-2H3
InChIKeyUIPAYBNXDJDXCN-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.65
Rot. Bonds4

About methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate

methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 59336902) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate
PubChem CID59336902
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namemethyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1
InChIInChI=1S/C24H32N2O4/c1-25(23(29)30-2)20-13-26(14-20)21(27)12-24(17-6-4-3-5-7-17)18-8-15-9-19(24)11-16(10-18)22(15)28/h3-7,15-16,18-20,22,28H,8-14H2,1-2H3
InChIKeyUIPAYBNXDJDXCN-UHFFFAOYSA-N
XLogP2.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate 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 methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate (CID 59336902) is methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate is COC(=O)N(C)C1CN(C(=O)CC2(c3ccccc3)C3CC4CC2CC(C3)C4O)C1.
What is the InChIKey of methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate?
The InChIKey is UIPAYBNXDJDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-25(23(29)30-2)20-13-26(14-20)21(27)12-24(17-6-4-3-5-7-17)18-8-15-9-19(24)11-16(10-18)22(15)28/h3-7,15-16,18-20,22,28H,8-14H2,1-2H3.
What are the key properties of methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate?
methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 412.53 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(6-hydroxy-2-phenyl-2-adamantyl)acetyl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 59336902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).