N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

C29H30N2O6 — CID 17117632

IUPACN-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc(OCC)c1OCC
InChIInChI=1S/C29H30N2O6/c1-5-34-24-16-20(17-25(35-6-2)27(24)36-7-3)28(32)30-21-12-13-22(18(4)14-21)31-29(33)26-15-19-10-8-9-11-23(19)37-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyWOSLRISJTNUKGL-UHFFFAOYSA-N
MW502.57 g/mol
LogP6.44
Rot. Bonds10

About N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 17117632) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID17117632
Molecular FormulaC29H30N2O6
Molecular Weight502.57 g/mol
Exact Mass502.21
IUPAC NameN-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc(OCC)c1OCC
InChIInChI=1S/C29H30N2O6/c1-5-34-24-16-20(17-25(35-6-2)27(24)36-7-3)28(32)30-21-12-13-22(18(4)14-21)31-29(33)26-15-19-10-8-9-11-23(19)37-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyWOSLRISJTNUKGL-UHFFFAOYSA-N
XLogP6.44
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 17091685
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215420
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 17117632) is N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is CCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc(OCC)c1OCC.
What is the InChIKey of N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WOSLRISJTNUKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-5-34-24-16-20(17-25(35-6-2)27(24)36-7-3)28(32)30-21-12-13-22(18(4)14-21)31-29(33)26-15-19-10-8-9-11-23(19)37-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 6.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17117632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).