N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

C20H23NO7 — CID 54754341

IUPACN-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1NC(C)=O
InChIInChI=1S/C20H23NO7/c1-11(22)21-17-14(24-2)8-7-13(19(17)27-5)18(23)12-9-15(25-3)20(28-6)16(10-12)26-4/h7-10H,1-6H3,(H,21,22)
InChIKeyAMUUFFZYQOMADI-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.92
Rot. Bonds8

About N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (PubChem CID 54754341) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
PubChem CID54754341
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC NameN-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1NC(C)=O
InChIInChI=1S/C20H23NO7/c1-11(22)21-17-14(24-2)8-7-13(19(17)27-5)18(23)12-9-15(25-3)20(28-6)16(10-12)26-4/h7-10H,1-6H3,(H,21,22)
InChIKeyAMUUFFZYQOMADI-UHFFFAOYSA-N
XLogP2.92
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The IUPAC name of N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (CID 54754341) is N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The canonical SMILES for N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1NC(C)=O.
What is the InChIKey of N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The InChIKey is AMUUFFZYQOMADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-11(22)21-17-14(24-2)8-7-13(19(17)27-5)18(23)12-9-15(25-3)20(28-6)16(10-12)26-4/h7-10H,1-6H3,(H,21,22).
What are the key properties of N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 54754341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).