N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C22H24N2O4 — CID 20925833

IUPACN-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)NC(C)(C)C)oc3ccccc23)cc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)20-19(16-7-5-6-8-17(16)28-20)23-18(25)13-14-9-11-15(27-4)12-10-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXSNWEXWGTPVSKX-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.15
Rot. Bonds5

About N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 20925833) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID20925833
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2c(C(=O)NC(C)(C)C)oc3ccccc23)cc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)20-19(16-7-5-6-8-17(16)28-20)23-18(25)13-14-9-11-15(27-4)12-10-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXSNWEXWGTPVSKX-UHFFFAOYSA-N
XLogP4.15
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20925986
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 18586175
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N'-(2-carbamoyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 18587367
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 20925833) is N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(CC(=O)Nc2c(C(=O)NC(C)(C)C)oc3ccccc23)cc1.
What is the InChIKey of N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is XSNWEXWGTPVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)20-19(16-7-5-6-8-17(16)28-20)23-18(25)13-14-9-11-15(27-4)12-10-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20925833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).