2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride

C20H29Cl2N3O — CID 120828182

IUPAC2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-17(21-2)13-22-20(24)16-23(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;;/h3-12,17,21H,13-16H2,1-2H3,(H,22,24);2*1H
InChIKeyGODOMMATXKUADF-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.26
Rot. Bonds9

About 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride

2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride (PubChem CID 120828182) has the molecular formula C20H29Cl2N3O and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
PubChem CID120828182
Molecular FormulaC20H29Cl2N3O
Molecular Weight398.38 g/mol
Exact Mass397.17
IUPAC Name2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-17(21-2)13-22-20(24)16-23(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;;/h3-12,17,21H,13-16H2,1-2H3,(H,22,24);2*1H
InChIKeyGODOMMATXKUADF-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
CID 120830379
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
N-[2-(methylamino)propyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 120831456

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride (CID 120828182) is 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride is CNC(C)CNC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The InChIKey is GODOMMATXKUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.2ClH/c1-17(21-2)13-22-20(24)16-23(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19;;/h3-12,17,21H,13-16H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride has a molecular weight of 398.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 120828182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).