1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide

C17H21N3O3 — CID 56819723

IUPAC1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCOCCn1cc(C(=O)N2CCC(C(N)=O)C2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-23-9-8-19-11-14(13-4-2-3-5-15(13)19)17(22)20-7-6-12(10-20)16(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21)
InChIKeyJSMLRAZCFQGEBW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.24
Rot. Bonds5

About 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide

1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 56819723) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID56819723
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCOCCn1cc(C(=O)N2CCC(C(N)=O)C2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-23-9-8-19-11-14(13-4-2-3-5-15(13)19)17(22)20-7-6-12(10-20)16(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21)
InChIKeyJSMLRAZCFQGEBW-UHFFFAOYSA-N
XLogP1.24
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 110086030
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133249
N-[(S)-[1-[1-(2-methoxyethyl)indole-3-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854291
ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
CID 55915165
[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
CID 141303525
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
CID 119032779
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[1-(2-methoxyethyl)indol-3-yl]acetamide
CID 71753943
(1-ethylindol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51255839
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide (CID 56819723) is 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide is COCCn1cc(C(=O)N2CCC(C(N)=O)C2)c2ccccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is JSMLRAZCFQGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-9-8-19-11-14(13-4-2-3-5-15(13)19)17(22)20-7-6-12(10-20)16(18)21/h2-5,11-12H,6-10H2,1H3,(H2,18,21).
What are the key properties of 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide?
1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56819723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).