N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen

C30H34N4O6 — CID 169211220

IUPACN-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
SMILESCC.CC.O=C(NCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc2c(c1)C(=O)NC2=O.[H][H].[H][H]
InChIInChI=1S/C26H18N4O6.2C2H6.2H2/c31-21(14-3-7-17-19(11-14)25(35)29-23(17)33)27-10-9-13-1-5-16(6-2-13)28-22(32)15-4-8-18-20(12-15)26(36)30-24(18)34;2*1-2;;/h1-8,11-12H,9-10H2,(H,27,31)(H,28,32)(H,29,33,35)(H,30,34,36);2*1-2H3;2*1H
InChIKeyUGCUKLOZZLSPEC-UHFFFAOYSA-N
MW546.62 g/mol
LogP4.22
Rot. Bonds6

About N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen

N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen (PubChem CID 169211220) has the molecular formula C30H34N4O6 and a molecular weight of 546.62 g/mol. Its IUPAC name is N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
PubChem CID169211220
Molecular FormulaC30H34N4O6
Molecular Weight546.62 g/mol
Exact Mass546.25
IUPAC NameN-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen
SMILESCC.CC.O=C(NCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc2c(c1)C(=O)NC2=O.[H][H].[H][H]
InChIInChI=1S/C26H18N4O6.2C2H6.2H2/c31-21(14-3-7-17-19(11-14)25(35)29-23(17)33)27-10-9-13-1-5-16(6-2-13)28-22(32)15-4-8-18-20(12-15)26(36)30-24(18)34;2*1-2;;/h1-8,11-12H,9-10H2,(H,27,31)(H,28,32)(H,29,33,35)(H,30,34,36);2*1-2H3;2*1H
InChIKeyUGCUKLOZZLSPEC-UHFFFAOYSA-N
XLogP4.22
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211221
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-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
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
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen?
The IUPAC name of N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen (CID 169211220) is N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen is CC.CC.O=C(NCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc2c(c1)C(=O)NC2=O.[H][H].[H][H].
What is the InChIKey of N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen?
The InChIKey is UGCUKLOZZLSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O6.2C2H6.2H2/c31-21(14-3-7-17-19(11-14)25(35)29-23(17)33)27-10-9-13-1-5-16(6-2-13)28-22(32)15-4-8-18-20(12-15)26(36)30-24(18)34;2*1-2;;/h1-8,11-12H,9-10H2,(H,27,31)(H,28,32)(H,29,33,35)(H,30,34,36);2*1-2H3;2*1H.
What are the key properties of N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen?
N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen has a molecular weight of 546.62 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 169211220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).