(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone

C19H23NO3 — CID 46299680

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCOC34CCCCC4)oc2c1
InChIInChI=1S/C19H23NO3/c1-13-6-7-15-14(2)17(23-16(15)12-13)18(21)20-10-11-22-19(20)8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRGFDSLOJTLPGSN-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.18
Rot. Bonds1

About (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone

(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone (PubChem CID 46299680) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
PubChem CID46299680
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCOC34CCCCC4)oc2c1
InChIInChI=1S/C19H23NO3/c1-13-6-7-15-14(2)17(23-16(15)12-13)18(21)20-10-11-22-19(20)8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyRGFDSLOJTLPGSN-UHFFFAOYSA-N
XLogP4.18
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone with MolForge

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Related Compounds

7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
CID 45371024
(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 45370284
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 70720743
[4-(3,6-dimethyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 50971207
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
CID 59788921
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
(3,6-dimethyl-1-benzofuran-2-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116953
(3,6-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 97122316
(3,6-dimethyl-1-benzofuran-2-yl)-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 50956134
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
(3,6-dimethyl-1-benzofuran-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740941

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone (CID 46299680) is (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone is Cc1ccc2c(C)c(C(=O)N3CCOC34CCCCC4)oc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
The InChIKey is RGFDSLOJTLPGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-6-7-15-14(2)17(23-16(15)12-13)18(21)20-10-11-22-19(20)8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone?
(3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-(1-oxa-4-azaspiro[4.5]decan-4-yl)methanone is sourced from PubChem (CID 46299680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).