N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide

C16H28N2O2 — CID 79544175

IUPACN-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC1C1CCCC1=O
InChIInChI=1S/C16H28N2O2/c1-11(15(20)17-16(2,3)4)18-10-6-8-13(18)12-7-5-9-14(12)19/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyBUWVANOOMGIJLZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.12
Rot. Bonds3

About N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide

N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide (PubChem CID 79544175) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
PubChem CID79544175
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC1C1CCCC1=O
InChIInChI=1S/C16H28N2O2/c1-11(15(20)17-16(2,3)4)18-10-6-8-13(18)12-7-5-9-14(12)19/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyBUWVANOOMGIJLZ-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
2-[2-(2-oxocyclopentyl)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 79544722
N-butan-2-yl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79543793
N-ethyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79545380
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
2-[1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79535811
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79538902
2-(1-propan-2-ylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544025
2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
CID 79553334
2-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539704
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
CID 79546859

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide (CID 79544175) is N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide is CC(C(=O)NC(C)(C)C)N1CCCC1C1CCCC1=O.
What is the InChIKey of N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide?
The InChIKey is BUWVANOOMGIJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(15(20)17-16(2,3)4)18-10-6-8-13(18)12-7-5-9-14(12)19/h11-13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide?
N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide has a molecular weight of 280.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 79544175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).