1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

C19H28N4O3 — CID 111671632

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCCCn1ccccc1=O
InChIInChI=1S/C19H28N4O3/c1-3-20-18(22-15-19(2,25)16-9-8-14-26-16)21-11-5-7-13-23-12-6-4-10-17(23)24/h4,6,8-10,12,14,25H,3,5,7,11,13,15H2,1-2H3,(H2,20,21,22)
InChIKeyCUWGJKXMRGKZKQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.68
Rot. Bonds9

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (PubChem CID 111671632) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
PubChem CID111671632
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCCCn1ccccc1=O
InChIInChI=1S/C19H28N4O3/c1-3-20-18(22-15-19(2,25)16-9-8-14-26-16)21-11-5-7-13-23-12-6-4-10-17(23)24/h4,6,8-10,12,14,25H,3,5,7,11,13,15H2,1-2H3,(H2,20,21,22)
InChIKeyCUWGJKXMRGKZKQ-UHFFFAOYSA-N
XLogP1.68
TPSA91.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
N-[3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]propyl]benzamide
CID 111672794
methyl 7-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]heptanoate
CID 111671924
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
methyl 7-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]heptanoate;hydroiodide
CID 111671923
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111672243
tert-butyl N-[3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111672701
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(3-methylsulfonylpropyl)guanidine
CID 111671498
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111520580
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111671557
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111519257
3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111671704

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine (CID 111671632) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCCCCn1ccccc1=O.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
The InChIKey is CUWGJKXMRGKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-20-18(22-15-19(2,25)16-9-8-14-26-16)21-11-5-7-13-23-12-6-4-10-17(23)24/h4,6,8-10,12,14,25H,3,5,7,11,13,15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine has a molecular weight of 360.46 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine is sourced from PubChem (CID 111671632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).