1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

C23H30N4O3 — CID 111913728

IUPAC1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCCOC)cc1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H30N4O3/c1-3-24-23(25-16-18-9-11-21(12-10-18)30-14-13-29-2)26-19-15-22(28)27(17-19)20-7-5-4-6-8-20/h4-12,19H,3,13-17H2,1-2H3,(H2,24,25,26)
InChIKeyUFEWVOVGNPGTHP-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.57
Rot. Bonds9

About 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111913728) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111913728
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCCOC)cc1)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H30N4O3/c1-3-24-23(25-16-18-9-11-21(12-10-18)30-14-13-29-2)26-19-15-22(28)27(17-19)20-7-5-4-6-8-20/h4-12,19H,3,13-17H2,1-2H3,(H2,24,25,26)
InChIKeyUFEWVOVGNPGTHP-UHFFFAOYSA-N
XLogP2.57
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111913351
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111993848
1-ethyl-2-[(3-nitrophenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912940
3-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]benzamide
CID 111913582
2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913338
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111189227
4-butoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546724
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913208
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913471
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913349
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 109405377
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109459448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (CID 111913728) is 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is CCN/C(=N\Cc1ccc(OCCOC)cc1)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is UFEWVOVGNPGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-24-23(25-16-18-9-11-21(12-10-18)30-14-13-29-2)26-19-15-22(28)27(17-19)20-7-5-4-6-8-20/h4-12,19H,3,13-17H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 410.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111913728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).