2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C20H25NO4 — CID 56793979

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC4(CC3)OCC(C)O4)coc2c1C
InChIInChI=1S/C20H25NO4/c1-13-4-5-17-16(12-23-19(17)15(13)3)10-18(22)21-8-6-20(7-9-21)24-11-14(2)25-20/h4-5,12,14H,6-11H2,1-3H3
InChIKeyXEVNXEHZUCWMNR-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.35
Rot. Bonds2

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 56793979) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID56793979
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC4(CC3)OCC(C)O4)coc2c1C
InChIInChI=1S/C20H25NO4/c1-13-4-5-17-16(12-23-19(17)15(13)3)10-18(22)21-8-6-20(7-9-21)24-11-14(2)25-20/h4-5,12,14H,6-11H2,1-3H3
InChIKeyXEVNXEHZUCWMNR-UHFFFAOYSA-N
XLogP3.35
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 27258718
1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 45433563
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119646903
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 23804650
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 124611754
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 119519445
3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 95633023
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90493236
1-[4-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 110092810
(3S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40875290
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-[4-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27806892

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 56793979) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is Cc1ccc2c(CC(=O)N3CCC4(CC3)OCC(C)O4)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is XEVNXEHZUCWMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-4-5-17-16(12-23-19(17)15(13)3)10-18(22)21-8-6-20(7-9-21)24-11-14(2)25-20/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 343.42 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 56793979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).