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

C14H16N2O3 — CID 167148345

IUPAC5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc2c1OCC2
InChIInChI=1S/C14H16N2O3/c1-15-14(18)11-7-9(13(17)16-10-2-3-10)6-8-4-5-19-12(8)11/h6-7,10H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyIZQPUYDQWLLZGC-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.87
Rot. Bonds3

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

5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 167148345) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID167148345
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc2c1OCC2
InChIInChI=1S/C14H16N2O3/c1-15-14(18)11-7-9(13(17)16-10-2-3-10)6-8-4-5-19-12(8)11/h6-7,10H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyIZQPUYDQWLLZGC-UHFFFAOYSA-N
XLogP0.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-tert-butyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 167148443
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
5-N-cyclopropyl-3-(hydroxymethyl)-7-N-methyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 138534030
(2S)-5-N-cyclopropyl-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 146320740
5-N-cyclopropyl-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987146
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
(3R)-5-N-cyclopropyl-3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138533560
(2S,3S)-5-N-cyclopropyl-2-(hydroxymethyl)-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987230
7-N-methyl-5-N-(oxolan-3-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119561
2-(fluoromethyl)-7-N-methyl-5-N-(1-methylsulfanylazetidin-3-yl)-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 146320579
3-cyclopropyl-1-methyl-1-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113096077
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648655

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 167148345) is 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cc2c1OCC2.
What is the InChIKey of 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is IZQPUYDQWLLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15-14(18)11-7-9(13(17)16-10-2-3-10)6-8-4-5-19-12(8)11/h6-7,10H,2-5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 167148345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).