N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide

C16H20N2O4 — CID 20925986

IUPACN-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCOCC(=O)Nc1c(C(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C16H20N2O4/c1-16(2,3)18-15(20)14-13(17-12(19)9-21-4)10-7-5-6-8-11(10)22-14/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKUJOYGAWNIPLGD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.55
Rot. Bonds4

About N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide

N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 20925986) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID20925986
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCOCC(=O)Nc1c(C(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C16H20N2O4/c1-16(2,3)18-15(20)14-13(17-12(19)9-21-4)10-7-5-6-8-11(10)22-14/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKUJOYGAWNIPLGD-UHFFFAOYSA-N
XLogP2.55
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
CID 52943074
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551712
[2-(tert-butylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660979

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide (CID 20925986) is N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide is COCC(=O)Nc1c(C(=O)NC(C)(C)C)oc2ccccc12.
What is the InChIKey of N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is KUJOYGAWNIPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)18-15(20)14-13(17-12(19)9-21-4)10-7-5-6-8-11(10)22-14/h5-8H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide?
N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.55, 4 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-methoxyacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20925986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).