N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C18H16N2O5 — CID 40567340

IUPACN-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C18H16N2O5/c1-20-17(22)12-6-4-10(8-13(12)18(20)23)16(21)19-14-9-11(24-2)5-7-15(14)25-3/h4-9H,1-3H3,(H,19,21)
InChIKeyXAXWCEIJJDMSRF-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.18
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 40567340) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID40567340
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C18H16N2O5/c1-20-17(22)12-6-4-10(8-13(12)18(20)23)16(21)19-14-9-11(24-2)5-7-15(14)25-3/h4-9H,1-3H3,(H,19,21)
InChIKeyXAXWCEIJJDMSRF-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55343832
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 17171775
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24513787
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 40567340) is N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XAXWCEIJJDMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-20-17(22)12-6-4-10(8-13(12)18(20)23)16(21)19-14-9-11(24-2)5-7-15(14)25-3/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 40567340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).