2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

C23H25N3O4 — CID 2117984

IUPAC2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1=O
InChIInChI=1S/C23H25N3O4/c1-2-3-10-26-22(28)17-9-8-16(15-18(17)23(26)29)21(27)24-19-6-4-5-7-20(19)25-11-13-30-14-12-25/h4-9,15H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyDUJLNQRAEDJSGD-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.17
Rot. Bonds6

About 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2117984) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2117984
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1=O
InChIInChI=1S/C23H25N3O4/c1-2-3-10-26-22(28)17-9-8-16(15-18(17)23(26)29)21(27)24-19-6-4-5-7-20(19)25-11-13-30-14-12-25/h4-9,15H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyDUJLNQRAEDJSGD-UHFFFAOYSA-N
XLogP3.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 2117984) is 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2C1=O.
What is the InChIKey of 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DUJLNQRAEDJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-2-3-10-26-22(28)17-9-8-16(15-18(17)23(26)29)21(27)24-19-6-4-5-7-20(19)25-11-13-30-14-12-25/h4-9,15H,2-3,10-14H2,1H3,(H,24,27).
What are the key properties of 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-morpholin-4-ylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2117984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).