N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

C20H20N2O5 — CID 17171775

IUPACN-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O
InChIInChI=1S/C20H20N2O5/c1-4-9-22-19(24)14-7-5-12(10-15(14)20(22)25)18(23)21-16-8-6-13(26-2)11-17(16)27-3/h5-8,10-11H,4,9H2,1-3H3,(H,21,23)
InChIKeyUVKFWOFRQOCQRP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.96
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide

N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 17171775) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID17171775
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O
InChIInChI=1S/C20H20N2O5/c1-4-9-22-19(24)14-7-5-12(10-15(14)20(22)25)18(23)21-16-8-6-13(26-2)11-17(16)27-3/h5-8,10-11H,4,9H2,1-3H3,(H,21,23)
InChIKeyUVKFWOFRQOCQRP-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.96
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-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 2686240
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2953834
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 17171775) is N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is UVKFWOFRQOCQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-4-9-22-19(24)14-7-5-12(10-15(14)20(22)25)18(23)21-16-8-6-13(26-2)11-17(16)27-3/h5-8,10-11H,4,9H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 17171775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).