3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

C16H19NO3 — CID 42107595

IUPAC3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H]3CCCO3)c(C)c2c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-14-13(8-10)11(2)15(20-14)16(18)17-9-12-4-3-7-19-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeySBQHYQWESNMABN-GFCCVEGCSA-N
MW273.33 g/mol
LogP2.96
Rot. Bonds3

About 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 42107595) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID42107595
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H]3CCCO3)c(C)c2c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-14-13(8-10)11(2)15(20-14)16(18)17-9-12-4-3-7-19-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeySBQHYQWESNMABN-GFCCVEGCSA-N
XLogP2.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-benzofuran-2-carboxamide
CID 1304313
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 42107595) is 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC[C@H]3CCCO3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SBQHYQWESNMABN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-5-6-14-13(8-10)11(2)15(20-14)16(18)17-9-12-4-3-7-19-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42107595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).