methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate

C27H25NO7 — CID 26841545

IUPACmethyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H25NO7/c1-16-25(20-12-18(10-11-22(20)35-16)34-15-17-8-6-5-7-9-17)26(29)28-21-14-24(32-3)23(31-2)13-19(21)27(30)33-4/h5-14H,15H2,1-4H3,(H,28,29)
InChIKeyXFCYSVYLORQEIP-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.38
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate (PubChem CID 26841545) has the molecular formula C27H25NO7 and a molecular weight of 475.50 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
PubChem CID26841545
Molecular FormulaC27H25NO7
Molecular Weight475.50 g/mol
Exact Mass475.16
IUPAC Namemethyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H25NO7/c1-16-25(20-12-18(10-11-22(20)35-16)34-15-17-8-6-5-7-9-17)26(29)28-21-14-24(32-3)23(31-2)13-19(21)27(30)33-4/h5-14H,15H2,1-4H3,(H,28,29)
InChIKeyXFCYSVYLORQEIP-UHFFFAOYSA-N
XLogP5.38
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
2-methyl-5-phenylmethoxy-N-pyridazin-3-yl-1-benzofuran-3-carboxamide
CID 163379719
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 8550950
methyl 4,5-dimethoxy-2-[[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]amino]benzoate
CID 26841548
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379677
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
[4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylate
CID 6126309
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate (CID 26841545) is methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate?
The InChIKey is XFCYSVYLORQEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO7/c1-16-25(20-12-18(10-11-22(20)35-16)34-15-17-8-6-5-7-9-17)26(29)28-21-14-24(32-3)23(31-2)13-19(21)27(30)33-4/h5-14H,15H2,1-4H3,(H,28,29).
What are the key properties of methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate has a molecular weight of 475.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 26841545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).