4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide

C25H23NO3 — CID 141073019

IUPAC4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide
SMILESCOCCc1cccc2oc(C(=O)Nc3ccc(-c4ccccc4)cc3)c(C)c12
InChIInChI=1S/C25H23NO3/c1-17-23-20(15-16-28-2)9-6-10-22(23)29-24(17)25(27)26-21-13-11-19(12-14-21)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyFBEUGLDGGCUOCY-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.85
Rot. Bonds6

About 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide

4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 141073019) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide
PubChem CID141073019
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide
SMILESCOCCc1cccc2oc(C(=O)Nc3ccc(-c4ccccc4)cc3)c(C)c12
InChIInChI=1S/C25H23NO3/c1-17-23-20(15-16-28-2)9-6-10-22(23)29-24(17)25(27)26-21-13-11-19(12-14-21)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyFBEUGLDGGCUOCY-UHFFFAOYSA-N
XLogP5.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-[4-[[4-(methoxymethyl)-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonyl-methylamino]-3-methylbutanoic acid
CID 68714479
2-[4-[4-[[4-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]-N-sulfinoanilino]-3-methylbutanoic acid
CID 91547135
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
(2S)-2-[[4-[4-[[4-[(Z)-3-methoxyprop-1-enyl]-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11250112
methyl 3-methyl-2-[[4-[4-[[3-methyl-4-(2-methylpropanoylamino)-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butanoate
CID 68714704
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
(2S)-3-methyl-2-[[4-[4-[(3-methyl-4-propan-2-yloxy-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]butanoic acid
CID 59788452
2-[[4-[4-[[4-[2-(dimethylamino)ethoxy]-3-methyl-1-benzofuran-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 68714630
2-[[4-[4-[(4-methoxy-4-oxobutyl)-sulfinatoamino]phenyl]phenyl]carbamoyl]-3-methyl-4-(methylamino)-1-benzofuran
CID 91126206
2-[[4-[4-[(1-carboxy-2-methylpropyl)-sulfinatoamino]phenyl]phenyl]carbamoyl]-4-(2-methoxy-2-oxoethoxy)-3-methyl-1-benzofuran
CID 90917566
methyl (2S)-2-[[4-[4-[(4-carbamoyl-3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoate
CID 148549309

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide (CID 141073019) is 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide is COCCc1cccc2oc(C(=O)Nc3ccc(-c4ccccc4)cc3)c(C)c12.
What is the InChIKey of 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FBEUGLDGGCUOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-23-20(15-16-28-2)9-6-10-22(23)29-24(17)25(27)26-21-13-11-19(12-14-21)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide?
4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-methyl-N-(4-phenylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 141073019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).