N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

C21H21NO7 — CID 44579691

IUPACN-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc2c(NC(C)=O)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H21NO7/c1-11(23)22-18-14-7-6-13(25-2)10-15(14)29-21(18)19(24)12-8-16(26-3)20(28-5)17(9-12)27-4/h6-10H,1-5H3,(H,22,23)
InChIKeySVNSDEJJLKIFRR-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.66
Rot. Bonds7

About N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 44579691) has the molecular formula C21H21NO7 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID44579691
Molecular FormulaC21H21NO7
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC NameN-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc2c(NC(C)=O)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H21NO7/c1-11(23)22-18-14-7-6-13(25-2)10-15(14)29-21(18)19(24)12-8-16(26-3)20(28-5)17(9-12)27-4/h6-10H,1-5H3,(H,22,23)
InChIKeySVNSDEJJLKIFRR-UHFFFAOYSA-N
XLogP3.66
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide (CID 44579691) is N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is COc1ccc2c(NC(C)=O)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is SVNSDEJJLKIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7/c1-11(23)22-18-14-7-6-13(25-2)10-15(14)29-21(18)19(24)12-8-16(26-3)20(28-5)17(9-12)27-4/h6-10H,1-5H3,(H,22,23).
What are the key properties of N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide?
N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 399.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 44579691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).