N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide

C18H19NO4 — CID 22131201

IUPACN-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3ccco3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H19NO4/c1-12(20)19-8-7-15-16-10-13(21-2)5-6-17(16)23-18(15)11-14-4-3-9-22-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyAFHUHRYEDXVKPJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide

N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 22131201) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID22131201
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3ccco3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H19NO4/c1-12(20)19-8-7-15-16-10-13(21-2)5-6-17(16)23-18(15)11-14-4-3-9-22-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyAFHUHRYEDXVKPJ-UHFFFAOYSA-N
XLogP3.30
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
CID 10926138
[3-(2-acetamidoethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 18360722
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
CID 11759809
(E)-N-[2-(furan-2-yl)ethyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9184707
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide (CID 22131201) is N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide is COc1ccc2oc(Cc3ccco3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is AFHUHRYEDXVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(20)19-8-7-15-16-10-13(21-2)5-6-17(16)23-18(15)11-14-4-3-9-22-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 22131201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).