ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone

C23H34N2O4 — CID 144806892

IUPACethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
SMILESCC.COc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CCOC2)CC1
InChIInChI=1S/C21H28N2O4.C2H6/c1-15(24)17-11-16-12-20(19(25-2)13-18(16)22-17)27-10-8-23-6-3-21(4-7-23)5-9-26-14-21;1-2/h11-13,22H,3-10,14H2,1-2H3;1-2H3
InChIKeyRVJROOXWUXIURR-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.29
Rot. Bonds6

About ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone

ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone (PubChem CID 144806892) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
PubChem CID144806892
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nameethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
SMILESCC.COc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CCOC2)CC1
InChIInChI=1S/C21H28N2O4.C2H6/c1-15(24)17-11-16-12-20(19(25-2)13-18(16)22-17)27-10-8-23-6-3-21(4-7-23)5-9-26-14-21;1-2/h11-13,22H,3-10,14H2,1-2H3;1-2H3
InChIKeyRVJROOXWUXIURR-UHFFFAOYSA-N
XLogP4.29
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-methoxy-5-[2-(2-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone
CID 123850237
1-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]ethanone
CID 144806926
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]methanone
CID 144806949
[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 167896070
(2-chlorophenyl)urea;ethane;6-methoxy-7-[3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropoxy]-1H-quinolin-4-one
CID 144685640
1-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-4-ethyl-N-formylpiperidine-4-carboxamide
CID 144806959
1-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethanone
CID 130206237
[1-(chloromethyl)-7-[8-[2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-6-methoxy-1H-indol-5-yl]oxy]ethyl]-2-thia-8-azaspiro[4.5]decan-3-yl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl)ethoxy]-6-methoxy-1H-indol-2-yl]methanone
CID 123351921
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11684022
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
(5,6-dimethoxy-1H-indol-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7618198

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone?
The IUPAC name of ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone (CID 144806892) is ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone.
What is the SMILES notation for ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone?
The canonical SMILES for ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone is CC.COc1cc2[nH]c(C(C)=O)cc2cc1OCCN1CCC2(CCOC2)CC1.
What is the InChIKey of ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone?
The InChIKey is RVJROOXWUXIURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4.C2H6/c1-15(24)17-11-16-12-20(19(25-2)13-18(16)22-17)27-10-8-23-6-3-21(4-7-23)5-9-26-14-21;1-2/h11-13,22H,3-10,14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone?
ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone has a molecular weight of 402.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-methoxy-5-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-1H-indol-2-yl]ethanone is sourced from PubChem (CID 144806892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).