N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide

C19H13N3O5 — CID 17172105

IUPACN-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2C1=O
InChIInChI=1S/C19H13N3O5/c1-2-22-18(26)12-5-3-9(7-14(12)19(22)27)15(23)20-10-4-6-11-13(8-10)17(25)21-16(11)24/h3-8H,2H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyQRHBRRKRTZPRMU-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.44
Rot. Bonds3

About N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide

N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17172105) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID17172105
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2C1=O
InChIInChI=1S/C19H13N3O5/c1-2-22-18(26)12-5-3-9(7-14(12)19(22)27)15(23)20-10-4-6-11-13(8-10)17(25)21-16(11)24/h3-8H,2H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyQRHBRRKRTZPRMU-UHFFFAOYSA-N
XLogP1.44
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3511151
N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17342556
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211221
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
CID 169211220
2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 3638476

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide (CID 17172105) is N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QRHBRRKRTZPRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c1-2-22-18(26)12-5-3-9(7-14(12)19(22)27)15(23)20-10-4-6-11-13(8-10)17(25)21-16(11)24/h3-8H,2H2,1H3,(H,20,23)(H,21,24,25).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17172105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).