4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

C24H27N3O4 — CID 55905402

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H27N3O4/c28-22-9-10-23(29)27(22)17-19-1-5-20(6-2-19)24(30)25-21-7-3-18(4-8-21)11-12-26-13-15-31-16-14-26/h1-8H,9-17H2,(H,25,30)
InChIKeyJYIYOBLPHGGNSB-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.46
Rot. Bonds7

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (PubChem CID 55905402) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
PubChem CID55905402
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H27N3O4/c28-22-9-10-23(29)27(22)17-19-1-5-20(6-2-19)24(30)25-21-7-3-18(4-8-21)11-12-26-13-15-31-16-14-26/h1-8H,9-17H2,(H,25,30)
InChIKeyJYIYOBLPHGGNSB-UHFFFAOYSA-N
XLogP2.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573
N-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
CID 53040752

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (CID 55905402) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The InChIKey is JYIYOBLPHGGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-22-9-10-23(29)27(22)17-19-1-5-20(6-2-19)24(30)25-21-7-3-18(4-8-21)11-12-26-13-15-31-16-14-26/h1-8H,9-17H2,(H,25,30).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is sourced from PubChem (CID 55905402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).