2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride

C25H30ClFN2O4 — CID 66591030

IUPAC2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
SMILESCOCCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl
InChIInChI=1S/C25H29FN2O4.ClH/c1-30-14-11-27-25(29)18-28(17-24-9-4-13-31-24)12-10-20-5-3-8-23(16-20)32-19-21-6-2-7-22(26)15-21;/h2-9,13,15-16H,10-12,14,17-19H2,1H3,(H,27,29);1H
InChIKeyOQKPOWAPXIZBBY-UHFFFAOYSA-N
MW476.98 g/mol
LogP4.23
Rot. Bonds13

About 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride

2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride (PubChem CID 66591030) has the molecular formula C25H30ClFN2O4 and a molecular weight of 476.98 g/mol. Its IUPAC name is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
PubChem CID66591030
Molecular FormulaC25H30ClFN2O4
Molecular Weight476.98 g/mol
Exact Mass476.19
IUPAC Name2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
SMILESCOCCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl
InChIInChI=1S/C25H29FN2O4.ClH/c1-30-14-11-27-25(29)18-28(17-24-9-4-13-31-24)12-10-20-5-3-8-23(16-20)32-19-21-6-2-7-22(26)15-21;/h2-9,13,15-16H,10-12,14,17-19H2,1H3,(H,27,29);1H
InChIKeyOQKPOWAPXIZBBY-UHFFFAOYSA-N
XLogP4.23
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride
CID 66591504
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(1H-pyrazol-5-yl)acetamide
CID 66591114
2-[furan-2-ylmethyl-[2-(3-phenylmethoxyphenyl)ethyl]amino]-N-methylacetamide
CID 59596821
3-[furan-2-ylmethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoic acid
CID 82327164
2-[furan-2-ylmethyl-[2-[3-(2-piperidin-1-ylethoxy)phenyl]ethyl]amino]-N-methylacetamide;hydrochloride
CID 66590485
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride (CID 66591030) is 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride is COCCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl.
What is the InChIKey of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride?
The InChIKey is OQKPOWAPXIZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4.ClH/c1-30-14-11-27-25(29)18-28(17-24-9-4-13-31-24)12-10-20-5-3-8-23(16-20)32-19-21-6-2-7-22(26)15-21;/h2-9,13,15-16H,10-12,14,17-19H2,1H3,(H,27,29);1H.
What are the key properties of 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride?
2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride has a molecular weight of 476.98 g/mol, XLogP of 4.23, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 66591030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).