(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C18H19NO4 — CID 8531124

IUPAC(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1OC
InChIInChI=1S/C18H19NO4/c1-3-22-15-9-8-13(11-16(15)21-2)19-18(20)17-10-12-6-4-5-7-14(12)23-17/h4-9,11,17H,3,10H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyPLMGVTSPQXNDKU-QGZVFWFLSA-N
MW313.35 g/mol
LogP3.04
Rot. Bonds5

About (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 8531124) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID8531124
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1OC
InChIInChI=1S/C18H19NO4/c1-3-22-15-9-8-13(11-16(15)21-2)19-18(20)17-10-12-6-4-5-7-14(12)23-17/h4-9,11,17H,3,10H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyPLMGVTSPQXNDKU-QGZVFWFLSA-N
XLogP3.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
(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
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9088486
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091567
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 8531124) is (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1OC.
What is the InChIKey of (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PLMGVTSPQXNDKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-22-15-9-8-13(11-16(15)21-2)19-18(20)17-10-12-6-4-5-7-14(12)23-17/h4-9,11,17H,3,10H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8531124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).