2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

C17H26N4O — CID 111913338

IUPAC2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCCC/N=C(\NCC)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H26N4O/c1-3-5-11-19-17(18-4-2)20-14-12-16(22)21(13-14)15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H2,18,19,20)
InChIKeyXFSRLLJIHKIBRO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds6

About 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine

2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111913338) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111913338
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
SMILESCCCC/N=C(\NCC)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H26N4O/c1-3-5-11-19-17(18-4-2)20-14-12-16(22)21(13-14)15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H2,18,19,20)
InChIKeyXFSRLLJIHKIBRO-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111913051
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912780
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913729
1-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912764
1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111913083
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 109394944
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913060
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111993848
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913471
3-[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111912751
4-[[[ethylamino-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111913351
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine (CID 111913338) is 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is CCCC/N=C(\NCC)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is XFSRLLJIHKIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-5-11-19-17(18-4-2)20-14-12-16(22)21(13-14)15-9-7-6-8-10-15/h6-10,14H,3-5,11-13H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine?
2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 302.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111913338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).