3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C17H24N2O5 — CID 2225103

IUPAC3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2=O)cc(OC)c1OC
InChIInChI=1S/C17H24N2O5/c1-22-13-10-12(11-14(23-2)16(13)24-3)17(21)18-7-5-9-19-8-4-6-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21)
InChIKeyFKUQAXQGDILHJO-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.45
Rot. Bonds8

About 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 2225103) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID2225103
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2=O)cc(OC)c1OC
InChIInChI=1S/C17H24N2O5/c1-22-13-10-12(11-14(23-2)16(13)24-3)17(21)18-7-5-9-19-8-4-6-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21)
InChIKeyFKUQAXQGDILHJO-UHFFFAOYSA-N
XLogP1.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 2225103) is 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1cc(C(=O)NCCCN2CCCC2=O)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is FKUQAXQGDILHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-13-10-12(11-14(23-2)16(13)24-3)17(21)18-7-5-9-19-8-4-6-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 2225103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).