2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide

C26H24N2O5 — CID 4220387

IUPAC2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2C1=O
InChIInChI=1S/C26H24N2O5/c1-17-6-3-4-7-23(17)33-20-11-9-19(10-12-20)27-24(29)18-8-13-21-22(16-18)26(31)28(25(21)30)14-5-15-32-2/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,27,29)
InChIKeyVBJJECMMQADKCQ-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.67
Rot. Bonds8

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

2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4220387) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID4220387
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2C1=O
InChIInChI=1S/C26H24N2O5/c1-17-6-3-4-7-23(17)33-20-11-9-19(10-12-20)27-24(29)18-8-13-21-22(16-18)26(31)28(25(21)30)14-5-15-32-2/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,27,29)
InChIKeyVBJJECMMQADKCQ-UHFFFAOYSA-N
XLogP4.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4594385
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
tert-butyl N-[2-[4-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]anilino]-2-oxoethyl]carbamate
CID 108916927
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-(3-methoxypropyl)-1,3-dioxo-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]isoindole-5-carboxamide
CID 108933673
[3-[[4-[[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928247
(2-methylphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738451
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
2-(3-methoxypropyl)-1,3-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 17496752
1-(2-methoxyphenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873532

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 4220387) is 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VBJJECMMQADKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-17-6-3-4-7-23(17)33-20-11-9-19(10-12-20)27-24(29)18-8-13-21-22(16-18)26(31)28(25(21)30)14-5-15-32-2/h3-4,6-13,16H,5,14-15H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4220387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).