N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C20H19N3O5 — CID 18587367

IUPACN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H19N3O5/c1-27-13-8-6-12(7-9-13)10-11-22-19(25)20(26)23-16-14-4-2-3-5-15(14)28-17(16)18(21)24/h2-9H,10-11H2,1H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMAPLOMIDOMQGCZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.84
Rot. Bonds6

About N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 18587367) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID18587367
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C20H19N3O5/c1-27-13-8-6-12(7-9-13)10-11-22-19(25)20(26)23-16-14-4-2-3-5-15(14)28-17(16)18(21)24/h2-9H,10-11H2,1H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMAPLOMIDOMQGCZ-UHFFFAOYSA-N
XLogP1.84
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
CID 18587361
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 7585365

Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 18587367) is N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is MAPLOMIDOMQGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-13-8-6-12(7-9-13)10-11-22-19(25)20(26)23-16-14-4-2-3-5-15(14)28-17(16)18(21)24/h2-9H,10-11H2,1H3,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 381.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 18587367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).