N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C19H27Cl2N3O — CID 119864866

IUPACN-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-15(13-20-2)19(23)21-17-11-7-8-12-18(17)22(3)14-16-9-5-4-6-10-16;;/h4-12,15,20H,13-14H2,1-3H3,(H,21,23);2*1H
InChIKeyPDXXEPGSEQRSGO-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.96
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119864866) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119864866
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC NameN-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-15(13-20-2)19(23)21-17-11-7-8-12-18(17)22(3)14-16-9-5-4-6-10-16;;/h4-12,15,20H,13-14H2,1-3H3,(H,21,23);2*1H
InChIKeyPDXXEPGSEQRSGO-UHFFFAOYSA-N
XLogP3.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60603780
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683
4-[[2-[benzyl(methyl)amino]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078232
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
CID 51098899

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119864866) is N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is PDXXEPGSEQRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-15(13-20-2)19(23)21-17-11-7-8-12-18(17)22(3)14-16-9-5-4-6-10-16;;/h4-12,15,20H,13-14H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119864866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).