N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide

C23H36N2O2 — CID 24947608

IUPACN-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide
SMILESO=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36N2O2/c26-20(24-22-18-10-16-9-17(12-18)13-19(22)11-16)14-23(5-1-2-6-23)15-21(27)25-7-3-4-8-25/h16-19,22H,1-15H2,(H,24,26)
InChIKeyBAHYYWZZMFSSME-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.89
Rot. Bonds5

About N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide

N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide (PubChem CID 24947608) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide
PubChem CID24947608
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide
SMILESO=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36N2O2/c26-20(24-22-18-10-16-9-17(12-18)13-19(22)11-16)14-23(5-1-2-6-23)15-21(27)25-7-3-4-8-25/h16-19,22H,1-15H2,(H,24,26)
InChIKeyBAHYYWZZMFSSME-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide (CID 24947608) is N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide is O=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide?
The InChIKey is BAHYYWZZMFSSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c26-20(24-22-18-10-16-9-17(12-18)13-19(22)11-16)14-23(5-1-2-6-23)15-21(27)25-7-3-4-8-25/h16-19,22H,1-15H2,(H,24,26).
What are the key properties of N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide?
N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide has a molecular weight of 372.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetamide is sourced from PubChem (CID 24947608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).