N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide

C18H19NO5 — CID 692750

IUPACN-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H19NO5/c1-11(20)12-6-5-7-14(8-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,1-4H3,(H,19,21)
InChIKeyAVKZAPUZIAHUKC-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.17
Rot. Bonds6

About N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide

N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 692750) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID692750
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C18H19NO5/c1-11(20)12-6-5-7-14(8-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,1-4H3,(H,19,21)
InChIKeyAVKZAPUZIAHUKC-UHFFFAOYSA-N
XLogP3.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide (CID 692750) is N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is AVKZAPUZIAHUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11(20)12-6-5-7-14(8-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-10H,1-4H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 329.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 692750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).