N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide

C24H28N4O4 — CID 2406200

IUPACN-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)16-14-25-22(30)17-9-11-18(12-10-17)26-21(29)13-15-28-23(31)19-7-5-6-8-20(19)24(28)32/h5-12H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyKJFLTEFWTRGDFA-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.38
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide (PubChem CID 2406200) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
PubChem CID2406200
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-3-27(4-2)16-14-25-22(30)17-9-11-18(12-10-17)26-21(29)13-15-28-23(31)19-7-5-6-8-20(19)24(28)32/h5-12H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyKJFLTEFWTRGDFA-UHFFFAOYSA-N
XLogP2.38
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[8-(1,3-dioxoisoindol-2-yl)octylamino]benzamide
CID 56944101
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]-N-propylbenzamide
CID 55894451
N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
CID 108788763
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[2-(diethylamino)ethyl]-4-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 110839390
N-[2-(diethylamino)ethyl]-4-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzamide
CID 6200957
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide (CID 2406200) is N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
The InChIKey is KJFLTEFWTRGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-27(4-2)16-14-25-22(30)17-9-11-18(12-10-17)26-21(29)13-15-28-23(31)19-7-5-6-8-20(19)24(28)32/h5-12H,3-4,13-16H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 2406200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).