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

C19H17NO4 — CID 2603932

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO4/c21-19(18-12-14-3-1-2-4-15(14)24-18)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyRSSQMAWUVUHHGX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.18
Rot. Bonds4

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 2603932) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID2603932
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
InChIInChI=1S/C19H17NO4/c21-19(18-12-14-3-1-2-4-15(14)24-18)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyRSSQMAWUVUHHGX-UHFFFAOYSA-N
XLogP3.18
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51109880
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-3-carboxamide
CID 18152283
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide (CID 2603932) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is RSSQMAWUVUHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-19(18-12-14-3-1-2-4-15(14)24-18)20-8-7-13-5-6-16-17(11-13)23-10-9-22-16/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.18, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2603932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).