1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

C15H28N2O3 — CID 113182555

IUPAC1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(CCCOC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16(8-5-2)15(19)13-11-14(18)17(12-13)9-6-10-20-3/h13H,4-12H2,1-3H3
InChIKeyMYCRNQIULGIWMH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds9

About 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 113182555) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID113182555
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(CCCOC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16(8-5-2)15(19)13-11-14(18)17(12-13)9-6-10-20-3/h13H,4-12H2,1-3H3
InChIKeyMYCRNQIULGIWMH-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
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 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (CID 113182555) is 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)C1CC(=O)N(CCCOC)C1.
What is the InChIKey of 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is MYCRNQIULGIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-16(8-5-2)15(19)13-11-14(18)17(12-13)9-6-10-20-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113182555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).