3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C25H23NO3 — CID 163347487

IUPAC3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCc3ccc(Oc4ccccc4)cc3)c(C)c2c1
InChIInChI=1S/C25H23NO3/c1-16-13-17(2)23-22(14-16)18(3)24(29-23)25(27)26-15-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,26,27)
InChIKeyFHLYUUVZUHQIAT-UHFFFAOYSA-N
MW385.46 g/mol
LogP6.08
Rot. Bonds5

About 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide

3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 163347487) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID163347487
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2oc(C(=O)NCc3ccc(Oc4ccccc4)cc3)c(C)c2c1
InChIInChI=1S/C25H23NO3/c1-16-13-17(2)23-22(14-16)18(3)24(29-23)25(27)26-15-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,26,27)
InChIKeyFHLYUUVZUHQIAT-UHFFFAOYSA-N
XLogP6.08
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,4-dimethylphenoxy)phenyl]methyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 163347414
3,4,6-trimethyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 163347668
2-amino-N-[(4-phenoxyphenyl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 166323208
N-[[4-(dimethoxymethyl)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 122132125
N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 51124817
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 27104970
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 4899000
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 163347487) is 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide is Cc1cc(C)c2oc(C(=O)NCc3ccc(Oc4ccccc4)cc3)c(C)c2c1.
What is the InChIKey of 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FHLYUUVZUHQIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16-13-17(2)23-22(14-16)18(3)24(29-23)25(27)26-15-19-9-11-21(12-10-19)28-20-7-5-4-6-8-20/h4-14H,15H2,1-3H3,(H,26,27).
What are the key properties of 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 163347487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).