N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide

C18H16N2O6 — CID 1008664

IUPACN-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O6/c1-24-13-8-10(9-14(25-2)15(13)26-3)16(21)19-20-17(22)11-6-4-5-7-12(11)18(20)23/h4-9H,1-3H3,(H,19,21)
InChIKeyBVBNCLKYCOMIBI-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.65
Rot. Bonds5

About N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide

N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 1008664) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID1008664
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O6/c1-24-13-8-10(9-14(25-2)15(13)26-3)16(21)19-20-17(22)11-6-4-5-7-12(11)18(20)23/h4-9H,1-3H3,(H,19,21)
InChIKeyBVBNCLKYCOMIBI-UHFFFAOYSA-N
XLogP1.65
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
CID 4923492
3,4,5-trimethoxy-N-[(5E)-4-oxo-5-[4-oxo-2-sulfanylidene-3-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 6207375
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide
CID 3794828
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 113082138
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3,4,5-trimethoxybenzamide
CID 8873673
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929
N-[(2S)-2-(2-bromo-5-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 1010260
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 3487606

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide (CID 1008664) is N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(OC)c1OC.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is BVBNCLKYCOMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-24-13-8-10(9-14(25-2)15(13)26-3)16(21)19-20-17(22)11-6-4-5-7-12(11)18(20)23/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide?
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 356.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1008664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).