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

C18H16N2O6 — CID 2230182

IUPACN-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O6/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(21)19-10-4-5-11-12(8-10)18(23)20-17(11)22/h4-8H,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyCPLQDFSVGINENX-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.85
Rot. Bonds5

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

N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 2230182) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID2230182
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc(OC)c1OC
InChIInChI=1S/C18H16N2O6/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(21)19-10-4-5-11-12(8-10)18(23)20-17(11)22/h4-8H,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyCPLQDFSVGINENX-UHFFFAOYSA-N
XLogP1.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 9325662
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3737326
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide (CID 2230182) is N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc(OC)c1OC.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is CPLQDFSVGINENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(21)19-10-4-5-11-12(8-10)18(23)20-17(11)22/h4-8H,1-3H3,(H,19,21)(H,20,22,23).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide?
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 356.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).