ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate

C18H25NO5 — CID 143412734

IUPACethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
SMILESCC.CCOC(=O)CC1(CC(=O)OCC)C(=O)Nc2ccccc21
InChIInChI=1S/C16H19NO5.C2H6/c1-3-21-13(18)9-16(10-14(19)22-4-2)11-7-5-6-8-12(11)17-15(16)20;1-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,20);1-2H3
InChIKeyPKLZDAKIKAQNSI-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.81
Rot. Bonds6

About ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate

ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate (PubChem CID 143412734) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
PubChem CID143412734
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
SMILESCC.CCOC(=O)CC1(CC(=O)OCC)C(=O)Nc2ccccc21
InChIInChI=1S/C16H19NO5.C2H6/c1-3-21-13(18)9-16(10-14(19)22-4-2)11-7-5-6-8-12(11)17-15(16)20;1-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,20);1-2H3
InChIKeyPKLZDAKIKAQNSI-UHFFFAOYSA-N
XLogP2.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate with MolForge

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Related Compounds

ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethane;3-(2-ethoxyethyl)-3-methyl-1H-indol-2-one;ethyl propanoate
CID 143412746
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
CID 43842432
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
CID 139227778
ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
CID 102100177
carbon monoxide;chromium(6+);ethyl 2-[8-(2-ethoxy-2-oxoethyl)-7,8-dihydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]acetate
CID 11986200
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl (2R)-2-acetyloxy-2-[(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]acetate
CID 56837652
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
ethyl 2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)acetate
CID 12507120

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The IUPAC name of ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate (CID 143412734) is ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate.
What is the SMILES notation for ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The canonical SMILES for ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate is CC.CCOC(=O)CC1(CC(=O)OCC)C(=O)Nc2ccccc21.
What is the InChIKey of ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
The InChIKey is PKLZDAKIKAQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5.C2H6/c1-3-21-13(18)9-16(10-14(19)22-4-2)11-7-5-6-8-12(11)17-15(16)20;1-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,20);1-2H3.
What are the key properties of ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate?
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate has a molecular weight of 335.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate is sourced from PubChem (CID 143412734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).