4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide

C31H43N3O3 — CID 144715395

IUPAC4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide
SMILESCC(c1ccccc1)C1C(=O)N(CCCNC(=O)c2ccc(N(C)C)cc2)C(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C31H43N3O3/c1-21(22-13-10-9-11-14-22)25-26(31(5,6)30(2,3)4)29(37)34(28(25)36)20-12-19-32-27(35)23-15-17-24(18-16-23)33(7)8/h9-11,13-18,21,25-26H,12,19-20H2,1-8H3,(H,32,35)
InChIKeyWIZUASNGHHMNAC-UHFFFAOYSA-N
MW505.70 g/mol
LogP5.35
Rot. Bonds9

About 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide

4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide (PubChem CID 144715395) has the molecular formula C31H43N3O3 and a molecular weight of 505.70 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide
PubChem CID144715395
Molecular FormulaC31H43N3O3
Molecular Weight505.70 g/mol
Exact Mass505.33
IUPAC Name4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide
SMILESCC(c1ccccc1)C1C(=O)N(CCCNC(=O)c2ccc(N(C)C)cc2)C(=O)C1C(C)(C)C(C)(C)C
InChIInChI=1S/C31H43N3O3/c1-21(22-13-10-9-11-14-22)25-26(31(5,6)30(2,3)4)29(37)34(28(25)36)20-12-19-32-27(35)23-15-17-24(18-16-23)33(7)8/h9-11,13-18,21,25-26H,12,19-20H2,1-8H3,(H,32,35)
InChIKeyWIZUASNGHHMNAC-UHFFFAOYSA-N
XLogP5.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione
CID 144715394
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
3-[2-[[4-(dimethylamino)benzoyl]amino]ethoxycarbonyl]-2-[2-[1-[3-[[4-(dimethylamino)benzoyl]amino]propyl]-4-[2-(4-methyl-2,5-dioxooxolan-3-yl)-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-phenylhexanoic acid
CID 158674108
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
5-[[4-(dimethylamino)benzoyl]amino]-2-methylpentanoic acid
CID 104682533
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
CID 108540337
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide (CID 144715395) is 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide is CC(c1ccccc1)C1C(=O)N(CCCNC(=O)c2ccc(N(C)C)cc2)C(=O)C1C(C)(C)C(C)(C)C.
What is the InChIKey of 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide?
The InChIKey is WIZUASNGHHMNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O3/c1-21(22-13-10-9-11-14-22)25-26(31(5,6)30(2,3)4)29(37)34(28(25)36)20-12-19-32-27(35)23-15-17-24(18-16-23)33(7)8/h9-11,13-18,21,25-26H,12,19-20H2,1-8H3,(H,32,35).
What are the key properties of 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide?
4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide has a molecular weight of 505.70 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-[2,5-dioxo-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidin-1-yl]propyl]benzamide is sourced from PubChem (CID 144715395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).