2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide

C29H24N4O4 — CID 108764944

IUPAC2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5nc(C)cc(C)n5)cc4)cc3C2=O)c(C)c1
InChIInChI=1S/C29H24N4O4/c1-16-5-12-25(17(2)13-16)33-27(35)23-11-6-20(15-24(23)28(33)36)26(34)32-21-7-9-22(10-8-21)37-29-30-18(3)14-19(4)31-29/h5-15H,1-4H3,(H,32,34)
InChIKeyAPTOPMKHGMLTMD-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.56
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108764944) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108764944
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5nc(C)cc(C)n5)cc4)cc3C2=O)c(C)c1
InChIInChI=1S/C29H24N4O4/c1-16-5-12-25(17(2)13-16)33-27(35)23-11-6-20(15-24(23)28(33)36)26(34)32-21-7-9-22(10-8-21)37-29-30-18(3)14-19(4)31-29/h5-15H,1-4H3,(H,32,34)
InChIKeyAPTOPMKHGMLTMD-UHFFFAOYSA-N
XLogP5.56
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 1036032
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760658
2-[5-[(4-methylphenyl)carbamoyl]-2-piperidin-1-ylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 127040271
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(pyridin-4-ylmethyl)phenyl]isoindole-5-carboxamide
CID 112800408
4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide (CID 108764944) is 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5nc(C)cc(C)n5)cc4)cc3C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is APTOPMKHGMLTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-16-5-12-25(17(2)13-16)33-27(35)23-11-6-20(15-24(23)28(33)36)26(34)32-21-7-9-22(10-8-21)37-29-30-18(3)14-19(4)31-29/h5-15H,1-4H3,(H,32,34).
What are the key properties of 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108764944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).