N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H17NO4 — CID 17438968

IUPACN-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OC
InChIInChI=1S/C17H17NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-8,10,16H,9H2,1-2H3,(H,18,19)
InChIKeyIVLZJUSHNZJFOO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.65
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 17438968) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID17438968
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OC
InChIInChI=1S/C17H17NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-8,10,16H,9H2,1-2H3,(H,18,19)
InChIKeyIVLZJUSHNZJFOO-UHFFFAOYSA-N
XLogP2.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55642482
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9088486
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 17438968) is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IVLZJUSHNZJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-14-8-7-12(10-15(14)21-2)18-17(19)16-9-11-5-3-4-6-13(11)22-16/h3-8,10,16H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17438968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).