N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C17H24N2O4 — CID 3674099

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-11(2)19-14(7-8-16(19)20)17(21)18-10-12-5-6-13(22-3)9-15(12)23-4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyOACXGMBPLRQKEI-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.72
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3674099) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3674099
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-11(2)19-14(7-8-16(19)20)17(21)18-10-12-5-6-13(22-3)9-15(12)23-4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyOACXGMBPLRQKEI-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 3674099) is N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is COc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OACXGMBPLRQKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)19-14(7-8-16(19)20)17(21)18-10-12-5-6-13(22-3)9-15(12)23-4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,18,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3674099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).