N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C26H24N2O4 — CID 26904052

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C26H24N2O4/c1-17-9-8-10-18(2)24(17)28-23(29)15-27-26(30)25-21(16-31-19-11-4-3-5-12-19)20-13-6-7-14-22(20)32-25/h3-14H,15-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJZKXDAJOMDOWHC-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.00
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 26904052) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID26904052
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C26H24N2O4/c1-17-9-8-10-18(2)24(17)28-23(29)15-27-26(30)25-21(16-31-19-11-4-3-5-12-19)20-13-6-7-14-22(20)32-25/h3-14H,15-16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyJZKXDAJOMDOWHC-UHFFFAOYSA-N
XLogP5.00
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 31929309
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55727052
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312521
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 26904052) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JZKXDAJOMDOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-9-8-10-18(2)24(17)28-23(29)15-27-26(30)25-21(16-31-19-11-4-3-5-12-19)20-13-6-7-14-22(20)32-25/h3-14H,15-16H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26904052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).