2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

C23H25NO4 — CID 19241107

IUPAC2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCCc1ccc2oc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c(C)c2c1
InChIInChI=1S/C23H25NO4/c1-5-16-6-11-20-19(12-16)15(4)21(28-20)22(25)24-18-9-7-17(8-10-18)23(26)27-13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChIKeyVHQJPEOPROIDON-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.37
Rot. Bonds6

About 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (PubChem CID 19241107) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
PubChem CID19241107
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCCc1ccc2oc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c(C)c2c1
InChIInChI=1S/C23H25NO4/c1-5-16-6-11-20-19(12-16)15(4)21(28-20)22(25)24-18-9-7-17(8-10-18)23(26)27-13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChIKeyVHQJPEOPROIDON-UHFFFAOYSA-N
XLogP5.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241228

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The IUPAC name of 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (CID 19241107) is 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is CCc1ccc2oc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c(C)c2c1.
What is the InChIKey of 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The InChIKey is VHQJPEOPROIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-5-16-6-11-20-19(12-16)15(4)21(28-20)22(25)24-18-9-7-17(8-10-18)23(26)27-13-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25).
What are the key properties of 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate has a molecular weight of 379.46 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 19241107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).