N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C17H17NO4 — CID 40790081

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccco3)coc2c1
InChIInChI=1S/C17H17NO4/c1-11(15-4-3-7-21-15)18-17(19)8-12-10-22-16-9-13(20-2)5-6-14(12)16/h3-7,9-11H,8H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyNTAHXHCOIHSMAS-NSHDSACASA-N
MW299.33 g/mol
LogP3.45
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 40790081) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID40790081
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccco3)coc2c1
InChIInChI=1S/C17H17NO4/c1-11(15-4-3-7-21-15)18-17(19)8-12-10-22-16-9-13(20-2)5-6-14(12)16/h3-7,9-11H,8H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyNTAHXHCOIHSMAS-NSHDSACASA-N
XLogP3.45
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9399035
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9116010
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 40790081) is N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)N[C@@H](C)c3ccco3)coc2c1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is NTAHXHCOIHSMAS-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(15-4-3-7-21-15)18-17(19)8-12-10-22-16-9-13(20-2)5-6-14(12)16/h3-7,9-11H,8H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 40790081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).