2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C21H32IN5O2 — CID 110043376

IUPAC2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)N1CC(CCN2CCCC2=O)c2ccccc21.I
InChIInChI=1S/C21H31N5O2.HI/c1-4-22-21(23-14-20(28)24(2)3)26-15-16(17-8-5-6-9-18(17)26)11-13-25-12-7-10-19(25)27;/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,22,23);1H
InChIKeyRTHGWIOPHHYXIJ-UHFFFAOYSA-N
MW513.42 g/mol
LogP2.27
Rot. Bonds6

About 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110043376) has the molecular formula C21H32IN5O2 and a molecular weight of 513.42 g/mol. Its IUPAC name is 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110043376
Molecular FormulaC21H32IN5O2
Molecular Weight513.42 g/mol
Exact Mass513.16
IUPAC Name2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)N1CC(CCN2CCCC2=O)c2ccccc21.I
InChIInChI=1S/C21H31N5O2.HI/c1-4-22-21(23-14-20(28)24(2)3)26-15-16(17-8-5-6-9-18(17)26)11-13-25-12-7-10-19(25)27;/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,22,23);1H
InChIKeyRTHGWIOPHHYXIJ-UHFFFAOYSA-N
XLogP2.27
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110043385
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543
N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 167805124
1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96567308
1-[2-[(3S)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666548
1-[2-[(3R)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666529
1-[2-[(3S)-1-[(2R)-morpholine-2-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124619896
1-[2-[(3S)-1-[2-[[(2R)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702502
1-[2-[(3R)-1-[2-[[(2S)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702530

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110043376) is 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)N1CC(CCN2CCCC2=O)c2ccccc21.I.
What is the InChIKey of 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is RTHGWIOPHHYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2.HI/c1-4-22-21(23-14-20(28)24(2)3)26-15-16(17-8-5-6-9-18(17)26)11-13-25-12-7-10-19(25)27;/h5-6,8-9,16H,4,7,10-15H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 513.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110043376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).