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

C18H26N2O5 — CID 46363645

IUPAC1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1(C)CCC(=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26N2O5/c1-18(17(22)19-8-5-9-23-2)7-6-16(21)20(18)13-10-14(24-3)12-15(11-13)25-4/h10-12H,5-9H2,1-4H3,(H,19,22)
InChIKeyCRWAIXODDRDKQM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.74
Rot. Bonds8

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

1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363645) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363645
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCCNC(=O)C1(C)CCC(=O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26N2O5/c1-18(17(22)19-8-5-9-23-2)7-6-16(21)20(18)13-10-14(24-3)12-15(11-13)25-4/h10-12H,5-9H2,1-4H3,(H,19,22)
InChIKeyCRWAIXODDRDKQM-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46363645) is 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is COCCCNC(=O)C1(C)CCC(=O)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CRWAIXODDRDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(17(22)19-8-5-9-23-2)7-6-16(21)20(18)13-10-14(24-3)12-15(11-13)25-4/h10-12H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).