4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide

C22H23N3O4 — CID 55894451

IUPAC4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-11-23-20(27)15-5-7-16(8-6-15)24-19(26)10-12-25-21(28)17-9-4-14(2)13-18(17)22(25)29/h4-9,13H,3,10-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySRFJXJOTSDPYAW-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.76
Rot. Bonds7

About 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide

4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide (PubChem CID 55894451) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
PubChem CID55894451
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-11-23-20(27)15-5-7-16(8-6-15)24-19(26)10-12-25-21(28)17-9-4-14(2)13-18(17)22(25)29/h4-9,13H,3,10-12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySRFJXJOTSDPYAW-UHFFFAOYSA-N
XLogP2.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55797969
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 30392382
N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 37186591
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30426218
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
2-[4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-propylacetamide
CID 55376897

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide?
The IUPAC name of 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide (CID 55894451) is 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1.
What is the InChIKey of 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide?
The InChIKey is SRFJXJOTSDPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-11-23-20(27)15-5-7-16(8-6-15)24-19(26)10-12-25-21(28)17-9-4-14(2)13-18(17)22(25)29/h4-9,13H,3,10-12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide?
4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide has a molecular weight of 393.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55894451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).