2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide

C25H24N4O6 — CID 169211222

IUPAC2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCCCCCNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C25H24N4O6/c1-28-22(32)16-8-6-14(12-18(16)24(28)34)20(30)26-10-4-3-5-11-27-21(31)15-7-9-17-19(13-15)25(35)29(2)23(17)33/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXMILQGUQWPKPBT-UHFFFAOYSA-N
MW476.49 g/mol
LogP1.47
Rot. Bonds8

About 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 169211222) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID169211222
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCCCCCNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C25H24N4O6/c1-28-22(32)16-8-6-14(12-18(16)24(28)34)20(30)26-10-4-3-5-11-27-21(31)15-7-9-17-19(13-15)25(35)29(2)23(17)33/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXMILQGUQWPKPBT-UHFFFAOYSA-N
XLogP1.47
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide (CID 169211222) is 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)NCCCCCNC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XMILQGUQWPKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-28-22(32)16-8-6-14(12-18(16)24(28)34)20(30)26-10-4-3-5-11-27-21(31)15-7-9-17-19(13-15)25(35)29(2)23(17)33/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 169211222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).