5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C22H23N3O4 — CID 20915810

IUPAC5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)c1
InChIInChI=1S/C22H23N3O4/c1-24-18-10-9-16(29-3)13-17(18)20(25-11-5-8-19(25)26)21(24)22(27)23-14-6-4-7-15(12-14)28-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,27)
InChIKeyPAENKFQCFQPXGD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.57
Rot. Bonds5

About 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915810) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915810
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)c1
InChIInChI=1S/C22H23N3O4/c1-24-18-10-9-16(29-3)13-17(18)20(25-11-5-8-19(25)26)21(24)22(27)23-14-6-4-7-15(12-14)28-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,27)
InChIKeyPAENKFQCFQPXGD-UHFFFAOYSA-N
XLogP3.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915839
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
N-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915884
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915872
5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277076
N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277042
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915810) is 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is COc1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)c1.
What is the InChIKey of 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is PAENKFQCFQPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-18-10-9-16(29-3)13-17(18)20(25-11-5-8-19(25)26)21(24)22(27)23-14-6-4-7-15(12-14)28-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,27).
What are the key properties of 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).