N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C18H24N2O5 — CID 113182761

IUPACN-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)c(OC)c1
InChIInChI=1S/C18H24N2O5/c1-23-13-5-6-15(16(9-13)24-2)19-18(22)12-8-17(21)20(10-12)11-14-4-3-7-25-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyDTWOXBQVZCUAOU-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.67
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113182761) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113182761
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)c(OC)c1
InChIInChI=1S/C18H24N2O5/c1-23-13-5-6-15(16(9-13)24-2)19-18(22)12-8-17(21)20(10-12)11-14-4-3-7-25-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyDTWOXBQVZCUAOU-UHFFFAOYSA-N
XLogP1.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182657
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183565
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
N-(2-morpholin-4-ylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182780
methyl 4-[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189484
1-[2-(cyclohexen-1-yl)ethyl]-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182408
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 113182712
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182791
N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186808
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113182761) is N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(CC3CCCO3)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DTWOXBQVZCUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-13-5-6-15(16(9-13)24-2)19-18(22)12-8-17(21)20(10-12)11-14-4-3-7-25-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).