1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C14H18N2O4 — CID 83290643

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(N)=O)CC2=O)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-11-4-3-9(12(6-11)20-2)7-16-8-10(14(15)18)5-13(16)17/h3-4,6,10H,5,7-8H2,1-2H3,(H2,15,18)
InChIKeyIIQYBUHFIPGYKX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.54
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 83290643) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID83290643
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(N)=O)CC2=O)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-11-4-3-9(12(6-11)20-2)7-16-8-10(14(15)18)5-13(16)17/h3-4,6,10H,5,7-8H2,1-2H3,(H2,15,18)
InChIKeyIIQYBUHFIPGYKX-UHFFFAOYSA-N
XLogP0.54
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 134478032
4-(4-benzyl-2-oxooxolane-3-carbonyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 155164024
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 71287812
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 83290643) is 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN2CC(C(N)=O)CC2=O)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IIQYBUHFIPGYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-4-3-9(12(6-11)20-2)7-16-8-10(14(15)18)5-13(16)17/h3-4,6,10H,5,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83290643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).