1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C20H33N5O — CID 111929461

IUPAC1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCN(CC)c1ccccc1C
InChIInChI=1S/C20H33N5O/c1-4-21-20(23-16-19(26)25-13-8-9-14-25)22-12-15-24(5-2)18-11-7-6-10-17(18)3/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyRAKVRJXKBOHVGF-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.00
Rot. Bonds8

About 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111929461) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111929461
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(=O)N1CCCC1)NCCN(CC)c1ccccc1C
InChIInChI=1S/C20H33N5O/c1-4-21-20(23-16-19(26)25-13-8-9-14-25)22-12-15-24(5-2)18-11-7-6-10-17(18)3/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H2,21,22,23)
InChIKeyRAKVRJXKBOHVGF-UHFFFAOYSA-N
XLogP2.00
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.00
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'}

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Related Compounds

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
1-[2-[benzyl(methyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111930028
1-[3-(2,6-dimethylphenoxy)propyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928725
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928959
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-phenylpentyl)guanidine
CID 111929397
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
1-[2-(2,6-dichlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929139
1-ethyl-3-[2-(2-methylphenoxy)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111686307
1-ethyl-2-[(2-methylphenyl)methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111359007
3-[2-[[ethylamino-[2-(N-ethyl-2-methylanilino)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111670008
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111197240
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111649042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 111929461) is 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is CCN/C(=N\CC(=O)N1CCCC1)NCCN(CC)c1ccccc1C.
What is the InChIKey of 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is RAKVRJXKBOHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-21-20(23-16-19(26)25-13-8-9-14-25)22-12-15-24(5-2)18-11-7-6-10-17(18)3/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 359.52 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111929461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).