N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide

C15H17NO3 — CID 136544061

IUPACN-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
SMILESCCN(C(=O)c1coc2ccccc12)C1CCOC1
InChIInChI=1S/C15H17NO3/c1-2-16(11-7-8-18-9-11)15(17)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyLLJJJCPLCCPUAX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.68
Rot. Bonds3

About N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide

N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 136544061) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
PubChem CID136544061
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
SMILESCCN(C(=O)c1coc2ccccc12)C1CCOC1
InChIInChI=1S/C15H17NO3/c1-2-16(11-7-8-18-9-11)15(17)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyLLJJJCPLCCPUAX-UHFFFAOYSA-N
XLogP2.68
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
CID 102872243
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
CID 77020926
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997188
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-1-benzofuran-3-carboxamide;hydrochloride
CID 86813060
1-benzofuran-3-yl(morpholin-3-yl)methanone
CID 116919658
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide (CID 136544061) is N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide is CCN(C(=O)c1coc2ccccc12)C1CCOC1.
What is the InChIKey of N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide?
The InChIKey is LLJJJCPLCCPUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-16(11-7-8-18-9-11)15(17)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide?
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 136544061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).