N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C17H17NO4 — CID 8856762

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@H](C)c3ccco3)c(C)c2c1
InChIInChI=1S/C17H17NO4/c1-10-13-9-12(20-3)6-7-15(13)22-16(10)17(19)18-11(2)14-5-4-8-21-14/h4-9,11H,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyZXBDTIBJXKQBKN-LLVKDONJSA-N
MW299.33 g/mol
LogP3.83
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8856762) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8856762
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@H](C)c3ccco3)c(C)c2c1
InChIInChI=1S/C17H17NO4/c1-10-13-9-12(20-3)6-7-15(13)22-16(10)17(19)18-11(2)14-5-4-8-21-14/h4-9,11H,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyZXBDTIBJXKQBKN-LLVKDONJSA-N
XLogP3.83
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8700752
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8856762) is N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N[C@H](C)c3ccco3)c(C)c2c1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZXBDTIBJXKQBKN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10-13-9-12(20-3)6-7-15(13)22-16(10)17(19)18-11(2)14-5-4-8-21-14/h4-9,11H,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8856762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).