2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

C24H31N5O2 — CID 110036609

IUPAC2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN/C(=N\Cc1ccccc1)NCC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C24H31N5O2/c1-28(2)22(31)17-27-24(25-15-18-10-6-4-7-11-18)26-16-20-14-21(30)29(3)23(20)19-12-8-5-9-13-19/h4-13,20,23H,14-17H2,1-3H3,(H2,25,26,27)
InChIKeyFFELJCAVGQRNNV-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.03
Rot. Bonds7

About 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 110036609) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
PubChem CID110036609
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN/C(=N\Cc1ccccc1)NCC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C24H31N5O2/c1-28(2)22(31)17-27-24(25-15-18-10-6-4-7-11-18)26-16-20-14-21(30)29(3)23(20)19-12-8-5-9-13-19/h4-13,20,23H,14-17H2,1-3H3,(H2,25,26,27)
InChIKeyFFELJCAVGQRNNV-UHFFFAOYSA-N
XLogP2.03
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide 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

2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035158
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
CID 110035637
2-[[(2-methoxyethylamino)-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036139
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033680
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110036140
2-[(N'-benzyl-N-tert-butylcarbamimidoyl)amino]-N,N-dimethylacetamide
CID 110966560
2-[(N'-benzyl-N-tert-butylcarbamimidoyl)amino]-N,N-dimethylacetamide;hydroiodide
CID 110966559
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110017679
2-[(N'-benzyl-N-cyclopent-3-en-1-ylcarbamimidoyl)amino]-N,N-dimethylacetamide
CID 110047174
2-[[N'-benzyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111187521
2-[[N'-benzyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364252
2-[[N'-benzyl-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110035811

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (CID 110036609) is 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CN/C(=N\Cc1ccccc1)NCC1CC(=O)N(C)C1c1ccccc1.
What is the InChIKey of 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is FFELJCAVGQRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28(2)22(31)17-27-24(25-15-18-10-6-4-7-11-18)26-16-20-14-21(30)29(3)23(20)19-12-8-5-9-13-19/h4-13,20,23H,14-17H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 421.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).