N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide

C20H21NO4 — CID 18963780

IUPACN-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCc3ccccc3)c(OC(C)C)c2c1
InChIInChI=1S/C20H21NO4/c1-13(2)24-18-16-11-15(23-3)9-10-17(16)25-19(18)20(22)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyLBJGLSMYWVPYOW-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.16
Rot. Bonds6

About N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide

N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide (PubChem CID 18963780) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
PubChem CID18963780
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCc3ccccc3)c(OC(C)C)c2c1
InChIInChI=1S/C20H21NO4/c1-13(2)24-18-16-11-15(23-3)9-10-17(16)25-19(18)20(22)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyLBJGLSMYWVPYOW-UHFFFAOYSA-N
XLogP4.16
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide
CID 95776307
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390
N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 57050332
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 78867735
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 55839775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide (CID 18963780) is N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCc3ccccc3)c(OC(C)C)c2c1.
What is the InChIKey of N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
The InChIKey is LBJGLSMYWVPYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)24-18-16-11-15(23-3)9-10-17(16)25-19(18)20(22)21-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22).
What are the key properties of N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide?
N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18963780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).