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

C24H25N3O4 — CID 167938471

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H25N3O4/c28-21-11-12-22(29)27(21)16-18-5-7-19(8-6-18)23(30)25-15-17-3-9-20(10-4-17)24(31)26-13-1-2-14-26/h3-10H,1-2,11-16H2,(H,25,30)
InChIKeyDMLBEPWBKADPRN-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.50
Rot. Bonds6

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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 167938471) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID167938471
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C24H25N3O4/c28-21-11-12-22(29)27(21)16-18-5-7-19(8-6-18)23(30)25-15-17-3-9-20(10-4-17)24(31)26-13-1-2-14-26/h3-10H,1-2,11-16H2,(H,25,30)
InChIKeyDMLBEPWBKADPRN-UHFFFAOYSA-N
XLogP2.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 119401688
1-[[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 134010109
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 167938471) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is DMLBEPWBKADPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-21-11-12-22(29)27(21)16-18-5-7-19(8-6-18)23(30)25-15-17-3-9-20(10-4-17)24(31)26-13-1-2-14-26/h3-10H,1-2,11-16H2,(H,25,30).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 167938471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).