[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate

C25H20N2O6 — CID 42978396

IUPAC[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O6/c1-31-21-9-5-3-7-19(21)27-24(29)16-10-12-18(13-11-16)26-23(28)15-32-25(30)22-14-17-6-2-4-8-20(17)33-22/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLNMYQGUICTXMJV-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.49
Rot. Bonds7

About [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 42978396) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID42978396
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O6/c1-31-21-9-5-3-7-19(21)27-24(29)16-10-12-18(13-11-16)26-23(28)15-32-25(30)22-14-17-6-2-4-8-20(17)33-22/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLNMYQGUICTXMJV-UHFFFAOYSA-N
XLogP4.49
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 29318472
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194086
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 42978396) is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate is COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is LNMYQGUICTXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-31-21-9-5-3-7-19(21)27-24(29)16-10-12-18(13-11-16)26-23(28)15-32-25(30)22-14-17-6-2-4-8-20(17)33-22/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 444.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 42978396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).