5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C15H20N2O3 — CID 167148443

IUPAC5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)(C)C)cc2c1OCC2
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)10-7-9-5-6-20-12(9)11(8-10)14(19)16-4/h7-8H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMQDYUWGLRVINI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.51
Rot. Bonds2

About 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 167148443) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID167148443
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)(C)C)cc2c1OCC2
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)10-7-9-5-6-20-12(9)11(8-10)14(19)16-4/h7-8H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHMQDYUWGLRVINI-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 167148345
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
5-(tert-butylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65372942
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-N-methylpyridine-3-carboxamide
CID 133473849
5-(4-methylphenyl)-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 69166433
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874214

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 167148443) is 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC(C)(C)C)cc2c1OCC2.
What is the InChIKey of 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is HMQDYUWGLRVINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)17-13(18)10-7-9-5-6-20-12(9)11(8-10)14(19)16-4/h7-8H,5-6H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 167148443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).