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

C26H34Cl2FN3O3 — CID 66591504

IUPACN-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride
SMILESCN(C)CCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl.Cl
InChIInChI=1S/C26H32FN3O3.2ClH/c1-29(2)14-12-28-26(31)19-30(18-25-10-5-15-32-25)13-11-21-6-4-9-24(17-21)33-20-22-7-3-8-23(27)16-22;;/h3-10,15-17H,11-14,18-20H2,1-2H3,(H,28,31);2*1H
InChIKeyAXVKUYLILYFEMN-UHFFFAOYSA-N
MW526.48 g/mol
LogP4.56
Rot. Bonds13

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

N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride (PubChem CID 66591504) has the molecular formula C26H34Cl2FN3O3 and a molecular weight of 526.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride
PubChem CID66591504
Molecular FormulaC26H34Cl2FN3O3
Molecular Weight526.48 g/mol
Exact Mass525.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride
SMILESCN(C)CCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl.Cl
InChIInChI=1S/C26H32FN3O3.2ClH/c1-29(2)14-12-28-26(31)19-30(18-25-10-5-15-32-25)13-11-21-6-4-9-24(17-21)33-20-22-7-3-8-23(27)16-22;;/h3-10,15-17H,11-14,18-20H2,1-2H3,(H,28,31);2*1H
InChIKeyAXVKUYLILYFEMN-UHFFFAOYSA-N
XLogP4.56
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 66591030
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
2-[furan-2-ylmethyl-[2-[3-(2-piperidin-1-ylethoxy)phenyl]ethyl]amino]-N-methylacetamide;hydrochloride
CID 66590485
2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591426
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591709
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
1-[2-(dimethylamino)ethyl]-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 8654435
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride (CID 66591504) is N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride is CN(C)CCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride?
The InChIKey is AXVKUYLILYFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3.2ClH/c1-29(2)14-12-28-26(31)19-30(18-25-10-5-15-32-25)13-11-21-6-4-9-24(17-21)33-20-22-7-3-8-23(27)16-22;;/h3-10,15-17H,11-14,18-20H2,1-2H3,(H,28,31);2*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride?
N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride has a molecular weight of 526.48 g/mol, XLogP of 4.56, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-[3-[(3-fluorophenyl)methoxy]phenyl]ethyl-(furan-2-ylmethyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 66591504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).