N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

C30H23N3O6 — CID 1117009

IUPACN-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3C2=O)cc1
InChIInChI=1S/C30H23N3O6/c1-38-25-9-5-3-7-23(25)31-27(34)18-11-14-20(15-12-18)33-29(36)21-16-13-19(17-22(21)30(33)37)28(35)32-24-8-4-6-10-26(24)39-2/h3-17H,1-2H3,(H,31,34)(H,32,35)
InChIKeySTIYKUIVXRJUND-UHFFFAOYSA-N
MW521.53 g/mol
LogP5.01
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1117009) has the molecular formula C30H23N3O6 and a molecular weight of 521.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID1117009
Molecular FormulaC30H23N3O6
Molecular Weight521.53 g/mol
Exact Mass521.16
IUPAC NameN-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3C2=O)cc1
InChIInChI=1S/C30H23N3O6/c1-38-25-9-5-3-7-23(25)31-27(34)18-11-14-20(15-12-18)33-29(36)21-16-13-19(17-22(21)30(33)37)28(35)32-24-8-4-6-10-26(24)39-2/h3-17H,1-2H3,(H,31,34)(H,32,35)
InChIKeySTIYKUIVXRJUND-UHFFFAOYSA-N
XLogP5.01
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1238748
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24513787
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methoxyphenyl)benzamide
CID 43859477
2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3605111
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1271218
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1188867

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 1117009) is N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is COc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3C2=O)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is STIYKUIVXRJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O6/c1-38-25-9-5-3-7-23(25)31-27(34)18-11-14-20(15-12-18)33-29(36)21-16-13-19(17-22(21)30(33)37)28(35)32-24-8-4-6-10-26(24)39-2/h3-17H,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 521.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1117009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).