N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C23H25N3O4 — CID 20915835

IUPACN-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C23H25N3O4/c1-4-30-16-9-7-15(8-10-16)24-23(28)22-21(26-13-5-6-20(26)27)18-14-17(29-3)11-12-19(18)25(22)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,28)
InChIKeyDDVFNBDDZPOPNN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.96
Rot. Bonds6

About N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915835) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915835
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C23H25N3O4/c1-4-30-16-9-7-15(8-10-16)24-23(28)22-21(26-13-5-6-20(26)27)18-14-17(29-3)11-12-19(18)25(22)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,28)
InChIKeyDDVFNBDDZPOPNN-UHFFFAOYSA-N
XLogP3.96
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915839
N-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915884
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277131
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-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915969

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915835) is N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCOc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is DDVFNBDDZPOPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-30-16-9-7-15(8-10-16)24-23(28)22-21(26-13-5-6-20(26)27)18-14-17(29-3)11-12-19(18)25(22)2/h7-12,14H,4-6,13H2,1-3H3,(H,24,28).
What are the key properties of N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).