[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone

C19H24N2O4 — CID 134077623

IUPAC[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone
SMILESCCOCC1CC2(COCCN2C(=O)c2ccc3[nH]ccc3c2)CO1
InChIInChI=1S/C19H24N2O4/c1-2-23-11-16-10-19(13-25-16)12-24-8-7-21(19)18(22)15-3-4-17-14(9-15)5-6-20-17/h3-6,9,16,20H,2,7-8,10-13H2,1H3
InChIKeyUGDCUZCKGLMBSC-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.20
Rot. Bonds4

About [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone

[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone (PubChem CID 134077623) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone
PubChem CID134077623
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone
SMILESCCOCC1CC2(COCCN2C(=O)c2ccc3[nH]ccc3c2)CO1
InChIInChI=1S/C19H24N2O4/c1-2-23-11-16-10-19(13-25-16)12-24-8-7-21(19)18(22)15-3-4-17-14(9-15)5-6-20-17/h3-6,9,16,20H,2,7-8,10-13H2,1H3
InChIKeyUGDCUZCKGLMBSC-UHFFFAOYSA-N
XLogP2.20
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1H-indol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155849715
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
[2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 131642167
[(2S,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 124816715
[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1H-indol-5-yl)methanone
CID 97491903
1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159270992
2-[2-ethoxy-4-(8-oxa-5-azaspiro[3.5]nonane-5-carbonyl)phenoxy]acetic acid
CID 120550434
4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one
CID 136533420
1H-indol-5-yl-[(5R)-5-(prop-2-enoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
CID 134689967
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone (CID 134077623) is [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone is CCOCC1CC2(COCCN2C(=O)c2ccc3[nH]ccc3c2)CO1.
What is the InChIKey of [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone?
The InChIKey is UGDCUZCKGLMBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-23-11-16-10-19(13-25-16)12-24-8-7-21(19)18(22)15-3-4-17-14(9-15)5-6-20-17/h3-6,9,16,20H,2,7-8,10-13H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone?
[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 134077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).