[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H24N2O4 — CID 56790369

IUPAC[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(C)Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12
InChIInChI=1S/C19H24N2O4/c1-20(2)13-15-14-5-3-4-6-16(14)25-17(15)18(22)21-9-7-19(8-10-21)23-11-12-24-19/h3-6H,7-13H2,1-2H3
InChIKeyFEFALEUPVVKGTP-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.47
Rot. Bonds3

About [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56790369) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56790369
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCN(C)Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12
InChIInChI=1S/C19H24N2O4/c1-20(2)13-15-14-5-3-4-6-16(14)25-17(15)18(22)21-9-7-19(8-10-21)23-11-12-24-19/h3-6H,7-13H2,1-2H3
InChIKeyFEFALEUPVVKGTP-UHFFFAOYSA-N
XLogP2.47
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646767
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111484704
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109118954
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
1-(4-methylpiperazin-1-yl)-2-[1-[3-(propan-2-yloxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]ethanone
CID 86903032
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55641422
[5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3610245

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 56790369) is [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CN(C)Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is FEFALEUPVVKGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20(2)13-15-14-5-3-4-6-16(14)25-17(15)18(22)21-9-7-19(8-10-21)23-11-12-24-19/h3-6H,7-13H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56790369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).