N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide

C13H26N2O2 — CID 48660823

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-8-17-11-13(16)14-9-12(2)10-15-6-4-5-7-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyLVZPZCUQFQJTCO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide (PubChem CID 48660823) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide
PubChem CID48660823
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-8-17-11-13(16)14-9-12(2)10-15-6-4-5-7-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyLVZPZCUQFQJTCO-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide (CID 48660823) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide is CCCOCC(=O)NCC(C)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide?
The InChIKey is LVZPZCUQFQJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-8-17-11-13(16)14-9-12(2)10-15-6-4-5-7-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propoxyacetamide is sourced from PubChem (CID 48660823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).