N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C23H18N2O5 — CID 27901826

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H18N2O5/c1-25-22(27)17-12-7-14(13-18(17)23(25)28)21(26)24-15-8-10-16(11-9-15)30-20-6-4-3-5-19(20)29-2/h3-13H,1-2H3,(H,24,26)
InChIKeyRAUXJCAUAQMCAS-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.97
Rot. Bonds5

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

N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27901826) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID27901826
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C23H18N2O5/c1-25-22(27)17-12-7-14(13-18(17)23(25)28)21(26)24-15-8-10-16(11-9-15)30-20-6-4-3-5-19(20)29-2/h3-13H,1-2H3,(H,24,26)
InChIKeyRAUXJCAUAQMCAS-UHFFFAOYSA-N
XLogP3.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4220387
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenoxybenzamide
CID 4194063
N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1271218
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55343832
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 143437368
3-ethyl-N-[4-(2-methoxyphenoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24575698

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 27901826) is N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RAUXJCAUAQMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-25-22(27)17-12-7-14(13-18(17)23(25)28)21(26)24-15-8-10-16(11-9-15)30-20-6-4-3-5-19(20)29-2/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27901826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).