N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C20H19NO4 — CID 2557030

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc3c(c2)OCCO3)oc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-15-4-2-3-5-16(15)25-19(13)20(22)21-9-8-14-6-7-17-18(12-14)24-11-10-23-17/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyNGURMUDPISSGHD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2557030) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2557030
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc3c(c2)OCCO3)oc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-15-4-2-3-5-16(15)25-19(13)20(22)21-9-8-14-6-7-17-18(12-14)24-11-10-23-17/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyNGURMUDPISSGHD-UHFFFAOYSA-N
XLogP3.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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7-methoxy-N-(2-morpholinoethyl)benzofuran-2-carboxamide
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[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl](1-benzofuran-2-yl)methanone
CID 2537438
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
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N-hydroxy-4-[2-(benzofuran-2-yl-carbonylamino)-ethoxy]-benzamide
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CID 4883248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 2557030) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2ccc3c(c2)OCCO3)oc2ccccc12.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NGURMUDPISSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-15-4-2-3-5-16(15)25-19(13)20(22)21-9-8-14-6-7-17-18(12-14)24-11-10-23-17/h2-7,12H,8-11H2,1H3,(H,21,22).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2557030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).