4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride

C24H36ClN3O2 — CID 45262455

IUPAC4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1.Cl
InChIInChI=1S/C24H35N3O2.ClH/c1-7-27(8-2)24(28)20-14-12-19(13-15-20)23(26(5)17-16-25(3)4)21-10-9-11-22(18-21)29-6;/h9-15,18,23H,7-8,16-17H2,1-6H3;1H
InChIKeyVBVBBGDYNGDYNE-UHFFFAOYSA-N
MW434.02 g/mol
LogP4.18
Rot. Bonds10

About 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride

4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride (PubChem CID 45262455) has the molecular formula C24H36ClN3O2 and a molecular weight of 434.02 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride
PubChem CID45262455
Molecular FormulaC24H36ClN3O2
Molecular Weight434.02 g/mol
Exact Mass433.25
IUPAC Name4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1.Cl
InChIInChI=1S/C24H35N3O2.ClH/c1-7-27(8-2)24(28)20-14-12-19(13-15-20)23(26(5)17-16-25(3)4)21-10-9-11-22(18-21)29-6;/h9-15,18,23H,7-8,16-17H2,1-6H3;1H
InChIKeyVBVBBGDYNGDYNE-UHFFFAOYSA-N
XLogP4.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride (CID 45262455) is 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N(C)CCN(C)C)cc1.Cl.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is VBVBBGDYNGDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2.ClH/c1-7-27(8-2)24(28)20-14-12-19(13-15-20)23(26(5)17-16-25(3)4)21-10-9-11-22(18-21)29-6;/h9-15,18,23H,7-8,16-17H2,1-6H3;1H.
What are the key properties of 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride?
4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 434.02 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-methylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 45262455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).