5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C18H23N3O3 — CID 6493112

IUPAC5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H23N3O3/c1-4-9-19-18(24)14-7-5-6-8-15(14)20-17(23)13-10-16(22)21(11-13)12(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,24)(H,20,23)
InChIKeyMDHVPMVDWIFFGB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds6

About 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6493112) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6493112
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H23N3O3/c1-4-9-19-18(24)14-7-5-6-8-15(14)20-17(23)13-10-16(22)21(11-13)12(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,24)(H,20,23)
InChIKeyMDHVPMVDWIFFGB-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6493112) is 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MDHVPMVDWIFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-9-19-18(24)14-7-5-6-8-15(14)20-17(23)13-10-16(22)21(11-13)12(2)3/h4-8,12-13H,1,9-11H2,2-3H3,(H,19,24)(H,20,23).
What are the key properties of 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6493112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).