N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C17H24N2O5 — CID 113182581

IUPACN-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)Nc2cc(OC)ccc2OC)CC1=O
InChIInChI=1S/C17H24N2O5/c1-22-8-4-7-19-11-12(9-16(19)20)17(21)18-14-10-13(23-2)5-6-15(14)24-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,21)
InChIKeyYZPPKVSRHHVOSA-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.53
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182581) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182581
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)Nc2cc(OC)ccc2OC)CC1=O
InChIInChI=1S/C17H24N2O5/c1-22-8-4-7-19-11-12(9-16(19)20)17(21)18-14-10-13(23-2)5-6-15(14)24-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,21)
InChIKeyYZPPKVSRHHVOSA-UHFFFAOYSA-N
XLogP1.53
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(2-butoxy-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46436974
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(2,5-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189679
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
1-butyl-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082537
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
N-(3-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182587
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 113182581) is N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(=O)Nc2cc(OC)ccc2OC)CC1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YZPPKVSRHHVOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-8-4-7-19-11-12(9-16(19)20)17(21)18-14-10-13(23-2)5-6-15(14)24-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).