N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide

C24H20N2O4 — CID 56507324

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-10-12-19(13-11-15)30-16(2)22(27)25-17-6-5-7-18(14-17)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14,16H,1-2H3,(H,25,27)
InChIKeyJETWFPVLORVGFL-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.20
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 56507324) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID56507324
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-10-12-19(13-11-15)30-16(2)22(27)25-17-6-5-7-18(14-17)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14,16H,1-2H3,(H,25,27)
InChIKeyJETWFPVLORVGFL-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
tert-butyl N-[(2R)-1-[3-(1,3-dioxoisoindol-2-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 56509967
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide (CID 56507324) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is JETWFPVLORVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-10-12-19(13-11-15)30-16(2)22(27)25-17-6-5-7-18(14-17)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-14,16H,1-2H3,(H,25,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 400.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 56507324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).