2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H22N2O3 — CID 2943497

IUPAC2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)NCC3CCCO3)c12
InChIInChI=1S/C18H22N2O3/c1-2-13-5-3-7-16-14(12-21)10-20(18(13)16)11-17(22)19-9-15-6-4-8-23-15/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3,(H,19,22)
InChIKeyDXNTZWMWWUHRNW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.31
Rot. Bonds6

About 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2943497) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2943497
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1cccc2c(C=O)cn(CC(=O)NCC3CCCO3)c12
InChIInChI=1S/C18H22N2O3/c1-2-13-5-3-7-16-14(12-21)10-20(18(13)16)11-17(22)19-9-15-6-4-8-23-15/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3,(H,19,22)
InChIKeyDXNTZWMWWUHRNW-UHFFFAOYSA-N
XLogP2.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[7-ethyl-3-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1006237
2-[7-ethyl-3-[(Z)-[3-(2-methylpropyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126137151
2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 126134649
2-[3-[(Z)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-7-ethylindol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 126141098
2-[3-[(Z)-[1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-7-ethylindol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126133788
2-[3-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-7-ethylindol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126149558
ethyl (5Z)-5-[[7-ethyl-1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]indol-3-yl]methylidene]-4-hydroxy-2-(4-methylphenyl)iminothiophene-3-carboxylate
CID 137130715
ethyl (5Z)-2-(4-ethoxyphenyl)imino-5-[[7-ethyl-1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]indol-3-yl]methylidene]-4-hydroxythiophene-3-carboxylate
CID 137124369
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43833017
N-(2-bromo-4,5-dimethylphenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 5071903
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2943497) is 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is CCc1cccc2c(C=O)cn(CC(=O)NCC3CCCO3)c12.
What is the InChIKey of 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DXNTZWMWWUHRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-13-5-3-7-16-14(12-21)10-20(18(13)16)11-17(22)19-9-15-6-4-8-23-15/h3,5,7,10,12,15H,2,4,6,8-9,11H2,1H3,(H,19,22).
What are the key properties of 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-formylindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2943497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).