5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

C17H24N2O3 — CID 651536

IUPAC5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-4-9-22-15-7-5-14(6-8-15)19-11-13(10-16(19)20)17(21)18-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyAEVBVPQSFRPKHR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.35
Rot. Bonds6

About 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide

5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 651536) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID651536
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-4-9-22-15-7-5-14(6-8-15)19-11-13(10-16(19)20)17(21)18-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyAEVBVPQSFRPKHR-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 651536) is 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1.
What is the InChIKey of 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AEVBVPQSFRPKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-9-22-15-7-5-14(6-8-15)19-11-13(10-16(19)20)17(21)18-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 651536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).