N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C23H27NO5 — CID 7719010

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2coc3cc(OC)ccc23)cc1OCC
InChIInChI=1S/C23H27NO5/c1-5-27-20-10-7-16(11-22(20)28-6-2)15(3)24-23(25)12-17-14-29-21-13-18(26-4)8-9-19(17)21/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m0/s1
InChIKeyAELWYJRZBVVBIF-HNNXBMFYSA-N
MW397.47 g/mol
LogP4.66
Rot. Bonds9

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 7719010) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID7719010
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2coc3cc(OC)ccc23)cc1OCC
InChIInChI=1S/C23H27NO5/c1-5-27-20-10-7-16(11-22(20)28-6-2)15(3)24-23(25)12-17-14-29-21-13-18(26-4)8-9-19(17)21/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m0/s1
InChIKeyAELWYJRZBVVBIF-HNNXBMFYSA-N
XLogP4.66
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9116010
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 26686594
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
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-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 7719010) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cc2coc3cc(OC)ccc23)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is AELWYJRZBVVBIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-5-27-20-10-7-16(11-22(20)28-6-2)15(3)24-23(25)12-17-14-29-21-13-18(26-4)8-9-19(17)21/h7-11,13-15H,5-6,12H2,1-4H3,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 397.47 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7719010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).