N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

C20H19NO4 — CID 118984805

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2c1
InChIInChI=1S/C20H19NO4/c1-3-13-7-8-16-14(11-13)12(2)18(25-16)20(22)21-15-5-4-6-17-19(15)24-10-9-23-17/h4-8,11H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyCVTHMHGPAKQZED-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.33
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 118984805) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID118984805
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2c1
InChIInChI=1S/C20H19NO4/c1-3-13-7-8-16-14(11-13)12(2)18(25-16)20(22)21-15-5-4-6-17-19(15)24-10-9-23-17/h4-8,11H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyCVTHMHGPAKQZED-UHFFFAOYSA-N
XLogP4.33
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153
2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 19241107
5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241179
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
ethyl 5-chloro-4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxybenzoate
CID 19241249

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 118984805) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)Nc3cccc4c3OCCO4)c(C)c2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CVTHMHGPAKQZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-13-7-8-16-14(11-13)12(2)18(25-16)20(22)21-15-5-4-6-17-19(15)24-10-9-23-17/h4-8,11H,3,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118984805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).