2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide

C23H25N3O4 — CID 2788210

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O4/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)25-11-13-30-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyNQPRJKUGABBPBE-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.78
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 2788210) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
PubChem CID2788210
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O4/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)25-11-13-30-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyNQPRJKUGABBPBE-UHFFFAOYSA-N
XLogP2.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (CID 2788210) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is CC(C)C(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is NQPRJKUGABBPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)20(26-22(28)18-5-3-4-6-19(18)23(26)29)21(27)24-16-7-9-17(10-8-16)25-11-13-30-14-12-25/h3-10,15,20H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 407.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 2788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).