4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

C24H28N2O3 — CID 26008402

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)14-18-4-8-20(9-5-18)17(3)25-24(29)21-10-6-19(7-11-21)15-26-22(27)12-13-23(26)28/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyOFAHQYFLRKTXGO-QGZVFWFLSA-N
MW392.50 g/mol
LogP4.03
Rot. Bonds7

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (PubChem CID 26008402) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
PubChem CID26008402
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)14-18-4-8-20(9-5-18)17(3)25-24(29)21-10-6-19(7-11-21)15-26-22(27)12-13-23(26)28/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyOFAHQYFLRKTXGO-QGZVFWFLSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 55637535
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55395964
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25496336
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (CID 26008402) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The InChIKey is OFAHQYFLRKTXGO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(2)14-18-4-8-20(9-5-18)17(3)25-24(29)21-10-6-19(7-11-21)15-26-22(27)12-13-23(26)28/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)/t17-/m1/s1.
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26008402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).