N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C26H31N3O4 — CID 56502325

IUPACN-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)C2=O
InChIInChI=1S/C26H31N3O4/c1-19-8-9-22-23(16-19)26(32)28(25(22)31)11-10-24(30)29(18-21-6-4-3-5-7-21)20(2)17-27-12-14-33-15-13-27/h3-9,16,20H,10-15,17-18H2,1-2H3
InChIKeyKBMYUQFDUXXSCF-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.73
Rot. Bonds8

About N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide

N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 56502325) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID56502325
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)C2=O
InChIInChI=1S/C26H31N3O4/c1-19-8-9-22-23(16-19)26(32)28(25(22)31)11-10-24(30)29(18-21-6-4-3-5-7-21)20(2)17-27-12-14-33-15-13-27/h3-9,16,20H,10-15,17-18H2,1-2H3
InChIKeyKBMYUQFDUXXSCF-UHFFFAOYSA-N
XLogP2.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phthalimide, N-((morpholinocarbonyl)methyl)-
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2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)isoindoline-4-carboxamide
CID 20855922
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
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ST012869
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2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 3134071
(2-Oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4306811
2-[4-(2,6-dimethyl-4-morpholinyl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
CID 18108378
2-[1-oxo-1-(piperidin-1-yl)propan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 660902
Ethyl 4-(5-{[(4-fluorobenzyl)amino]carbonyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)tetrahydro-1(2H)-pyridinecarboxylate
CID 5308622
Ethyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL)piperidine-1-carboxylate
CID 5309241

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 56502325) is N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)N(Cc1ccccc1)C(C)CN1CCOCC1)C2=O.
What is the InChIKey of N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is KBMYUQFDUXXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-19-8-9-22-23(16-19)26(32)28(25(22)31)11-10-24(30)29(18-21-6-4-3-5-7-21)20(2)17-27-12-14-33-15-13-27/h3-9,16,20H,10-15,17-18H2,1-2H3.
What are the key properties of N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 449.55 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 56502325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).