2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride

C25H32ClN3O2 — CID 66591426

IUPAC2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CN(CCc1cccc(-c2ccccc2CN(C)C)c1)Cc1ccco1.Cl
InChIInChI=1S/C25H31N3O2.ClH/c1-26-25(29)19-28(18-23-11-7-15-30-23)14-13-20-8-6-10-21(16-20)24-12-5-4-9-22(24)17-27(2)3;/h4-12,15-16H,13-14,17-19H2,1-3H3,(H,26,29);1H
InChIKeyFLDANKLLJIIQES-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.22
Rot. Bonds10

About 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride

2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride (PubChem CID 66591426) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride
PubChem CID66591426
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC Name2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride
SMILESCNC(=O)CN(CCc1cccc(-c2ccccc2CN(C)C)c1)Cc1ccco1.Cl
InChIInChI=1S/C25H31N3O2.ClH/c1-26-25(29)19-28(18-23-11-7-15-30-23)14-13-20-8-6-10-21(16-20)24-12-5-4-9-22(24)17-27(2)3;/h4-12,15-16H,13-14,17-19H2,1-3H3,(H,26,29);1H
InChIKeyFLDANKLLJIIQES-UHFFFAOYSA-N
XLogP4.22
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride (CID 66591426) is 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride is CNC(=O)CN(CCc1cccc(-c2ccccc2CN(C)C)c1)Cc1ccco1.Cl.
What is the InChIKey of 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride?
The InChIKey is FLDANKLLJIIQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2.ClH/c1-26-25(29)19-28(18-23-11-7-15-30-23)14-13-20-8-6-10-21(16-20)24-12-5-4-9-22(24)17-27(2)3;/h4-12,15-16H,13-14,17-19H2,1-3H3,(H,26,29);1H.
What are the key properties of 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride?
2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride has a molecular weight of 442.00 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethyl-(furan-2-ylmethyl)amino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 66591426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).