N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C15H20N2O3 — CID 6462734

IUPACN-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(10-20-2)16-15(19)12-8-14(18)17(9-12)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,16,19)
InChIKeyYDZQUARJCRXYMV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.19
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 6462734) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID6462734
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(10-20-2)16-15(19)12-8-14(18)17(9-12)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,16,19)
InChIKeyYDZQUARJCRXYMV-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 6462734) is N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is COCC(C)NC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YDZQUARJCRXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(10-20-2)16-15(19)12-8-14(18)17(9-12)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6462734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).