2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide

C20H31NO2 — CID 4105242

IUPAC2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide
SMILESCC(=O)C1CC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C
InChIInChI=1S/C20H31NO2/c1-12(22)17-7-16(19(17,2)3)8-18(23)21-20-9-13-4-14(10-20)6-15(5-13)11-20/h13-17H,4-11H2,1-3H3,(H,21,23)
InChIKeyCVFOBQGADLDVRC-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide

2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide (PubChem CID 4105242) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide
PubChem CID4105242
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide
SMILESCC(=O)C1CC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C
InChIInChI=1S/C20H31NO2/c1-12(22)17-7-16(19(17,2)3)8-18(23)21-20-9-13-4-14(10-20)6-15(5-13)11-20/h13-17H,4-11H2,1-3H3,(H,21,23)
InChIKeyCVFOBQGADLDVRC-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide?
The IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide (CID 4105242) is 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide is CC(=O)C1CC(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C.
What is the InChIKey of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide?
The InChIKey is CVFOBQGADLDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-12(22)17-7-16(19(17,2)3)8-18(23)21-20-9-13-4-14(10-20)6-15(5-13)11-20/h13-17H,4-11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide?
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide has a molecular weight of 317.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide is sourced from PubChem (CID 4105242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).