1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

C23H34N4O3 — CID 111671844

IUPAC1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(CN2CCOC(C)C2)c1)NCC(C)(O)c1ccco1
InChIInChI=1S/C23H34N4O3/c1-4-24-22(26-17-23(3,28)21-9-6-11-30-21)25-14-19-7-5-8-20(13-19)16-27-10-12-29-18(2)15-27/h5-9,11,13,18,28H,4,10,12,14-17H2,1-3H3,(H2,24,25,26)
InChIKeyGRJRZPCKRUFGOA-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.46
Rot. Bonds8

About 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111671844) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
PubChem CID111671844
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(CN2CCOC(C)C2)c1)NCC(C)(O)c1ccco1
InChIInChI=1S/C23H34N4O3/c1-4-24-22(26-17-23(3,28)21-9-6-11-30-21)25-14-19-7-5-8-20(13-19)16-27-10-12-29-18(2)15-27/h5-9,11,13,18,28H,4,10,12,14-17H2,1-3H3,(H2,24,25,26)
InChIKeyGRJRZPCKRUFGOA-UHFFFAOYSA-N
XLogP2.46
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980136
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111671665
1-ethyl-3-(3-methoxypropyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 110973663
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111248975
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111519354
1-cyclohexyl-3-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110957229
2-benzyl-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111492847
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316282
1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111534651
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111402557
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316281
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111671800

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (CID 111671844) is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is CCN/C(=N\Cc1cccc(CN2CCOC(C)C2)c1)NCC(C)(O)c1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is GRJRZPCKRUFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-24-22(26-17-23(3,28)21-9-6-11-30-21)25-14-19-7-5-8-20(13-19)16-27-10-12-29-18(2)15-27/h5-9,11,13,18,28H,4,10,12,14-17H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 414.55 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111671844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).