[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C20H18N2O6 — CID 16506360

IUPAC[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H18N2O6/c1-12-15-5-3-4-6-16(15)28-18(12)19(24)27-11-17(23)22-20(25)21-13-7-9-14(26-2)10-8-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeySZHPJEFDAPPPLZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.25
Rot. Bonds5

About [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 16506360) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID16506360
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C20H18N2O6/c1-12-15-5-3-4-6-16(15)28-18(12)19(24)27-11-17(23)22-20(25)21-13-7-9-14(26-2)10-8-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeySZHPJEFDAPPPLZ-UHFFFAOYSA-N
XLogP3.25
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280
[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
[2-(4-acetamidoanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270392
[2-[4-(diethylamino)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506325
[2-(4-fluoroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270348
[2-(4-butan-2-ylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 3608842
[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653255
[2-(3-acetamidoanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239225
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55305040
[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666973
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
[2-(3-fluoroanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666924

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 16506360) is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is COc1ccc(NC(=O)NC(=O)COC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is SZHPJEFDAPPPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-12-15-5-3-4-6-16(15)28-18(12)19(24)27-11-17(23)22-20(25)21-13-7-9-14(26-2)10-8-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16506360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).