N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide

C12H23N3O2 — CID 3156711

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C12H23N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyIUXUTPNGOMWBPJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide (PubChem CID 3156711) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide
PubChem CID3156711
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC1CCCN1CC
InChIInChI=1S/C12H23N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyIUXUTPNGOMWBPJ-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide (CID 3156711) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCC1CCCN1CC.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide?
The InChIKey is IUXUTPNGOMWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-7-13-11(16)12(17)14-9-10-6-5-8-15(10)4-2/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-propyloxamide is sourced from PubChem (CID 3156711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).