1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C21H29N3O3 — CID 20915969

IUPAC1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21
InChIInChI=1S/C21H29N3O3/c1-5-23-17-9-8-15(27-4)13-16(17)19(24-12-6-7-18(24)25)20(23)21(26)22-11-10-14(2)3/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,22,26)
InChIKeyPGSMTLHAUMVNRD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.57
Rot. Bonds7

About 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915969) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915969
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21
InChIInChI=1S/C21H29N3O3/c1-5-23-17-9-8-15(27-4)13-16(17)19(24-12-6-7-18(24)25)20(23)21(26)22-11-10-14(2)3/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,22,26)
InChIKeyPGSMTLHAUMVNRD-UHFFFAOYSA-N
XLogP3.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915976
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915967
5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277076
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
1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915958
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915872
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915962
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915969) is 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is PGSMTLHAUMVNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-23-17-9-8-15(27-4)13-16(17)19(24-12-6-7-18(24)25)20(23)21(26)22-11-10-14(2)3/h8-9,13-14H,5-7,10-12H2,1-4H3,(H,22,26).
What are the key properties of 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).