N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C22H23NO5 — CID 8752015

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C22H23NO5/c1-3-23(13-15-4-7-19-21(10-15)27-9-8-26-19)22(24)11-16-14-28-20-12-17(25-2)5-6-18(16)20/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3
InChIKeyOFOJFKFHMOHPOF-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.80
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 8752015) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID8752015
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C22H23NO5/c1-3-23(13-15-4-7-19-21(10-15)27-9-8-26-19)22(24)11-16-14-28-20-12-17(25-2)5-6-18(16)20/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3
InChIKeyOFOJFKFHMOHPOF-UHFFFAOYSA-N
XLogP3.80
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
CID 26072038
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9116010
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011192
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]thiourea
CID 24637418
N-[[4-(dimethylamino)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55360891
N-benzyl-N-(furan-2-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 37429418
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18116195
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
CID 39949823
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 112766874
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901991

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 8752015) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is OFOJFKFHMOHPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-23(13-15-4-7-19-21(10-15)27-9-8-26-19)22(24)11-16-14-28-20-12-17(25-2)5-6-18(16)20/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 8752015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).