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

C17H30N2O2 — CID 79535858

IUPACN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-12(16(21)18-17(2,3)4)19-11-7-9-14(19)13-8-5-6-10-15(13)20/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyAISQEEAIBCVWGY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.51
Rot. Bonds3

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

N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide (PubChem CID 79535858) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
PubChem CID79535858
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C17H30N2O2/c1-12(16(21)18-17(2,3)4)19-11-7-9-14(19)13-8-5-6-10-15(13)20/h12-14H,5-11H2,1-4H3,(H,18,21)
InChIKeyAISQEEAIBCVWGY-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide (CID 79535858) is N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide is CC(C(=O)NC(C)(C)C)N1CCCC1C1CCCCC1=O.
What is the InChIKey of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The InChIKey is AISQEEAIBCVWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(16(21)18-17(2,3)4)19-11-7-9-14(19)13-8-5-6-10-15(13)20/h12-14H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide has a molecular weight of 294.44 g/mol, XLogP of 2.51, 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-oxocyclohexyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 79535858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).