N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride

C20H29Cl2N3O — CID 119522718

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-20(2,16-21)22-19(24)15-23(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18;;/h3-12H,13-16,21H2,1-2H3,(H,22,24);2*1H
InChIKeyCXLGCGDJUFWYSB-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.39
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride (PubChem CID 119522718) has the molecular formula C20H29Cl2N3O and a molecular weight of 398.38 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
PubChem CID119522718
Molecular FormulaC20H29Cl2N3O
Molecular Weight398.38 g/mol
Exact Mass397.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C20H27N3O.2ClH/c1-20(2,16-21)22-19(24)15-23(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18;;/h3-12H,13-16,21H2,1-2H3,(H,22,24);2*1H
InChIKeyCXLGCGDJUFWYSB-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(benzyl)amino]-N-(1-amino-2-methylpropan-2-yl)propanamide;hydrochloride
CID 119521673
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
CID 119523708
2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
CID 101153293
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 61486374
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]propanamide
CID 75388511
2-(dibenzylamino)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120828182
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119523219

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride (CID 119522718) is N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride is CC(C)(CN)NC(=O)CN(Cc1ccccc1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride?
The InChIKey is CXLGCGDJUFWYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.2ClH/c1-20(2,16-21)22-19(24)15-23(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18;;/h3-12H,13-16,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride has a molecular weight of 398.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119522718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).