1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine

C23H28N4O — CID 111413892

IUPAC1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C23H28N4O/c1-2-24-23(26-21-15-20(21)18-7-4-3-5-8-18)25-16-17-10-12-19(13-11-17)27-14-6-9-22(27)28/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3,(H2,24,25,26)
InChIKeyYXZKKNGOMLTCBJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.42
Rot. Bonds6

About 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine

1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine (PubChem CID 111413892) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine
PubChem CID111413892
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C23H28N4O/c1-2-24-23(26-21-15-20(21)18-7-4-3-5-8-18)25-16-17-10-12-19(13-11-17)27-14-6-9-22(27)28/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3,(H2,24,25,26)
InChIKeyYXZKKNGOMLTCBJ-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine 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-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413345
1-cyclopropyl-3-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110987807
1-cyclopentyl-3-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110989816
1-ethyl-3-[[2-(hydroxymethyl)phenyl]methyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413505
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111198560
1-tert-butyl-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 110966358
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949449
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111189767
1-ethyl-3-[(4-methylphenyl)methyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111243538
1-tert-butyl-3-ethyl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110964376
1-butyl-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111151756
1-ethyl-3-(furan-2-ylmethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 110938384

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine (CID 111413892) is 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine is CCN/C(=N\Cc1ccc(N2CCCC2=O)cc1)NC1CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine?
The InChIKey is YXZKKNGOMLTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-24-23(26-21-15-20(21)18-7-4-3-5-8-18)25-16-17-10-12-19(13-11-17)27-14-6-9-22(27)28/h3-5,7-8,10-13,20-21H,2,6,9,14-16H2,1H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine?
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine has a molecular weight of 376.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111413892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).