3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride

C22H33Cl2N3O — CID 119877886

IUPAC3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(NC(C)(C)CNC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C22H31N3O.2ClH/c1-16(20(23)19-13-9-6-10-14-19)21(26)24-15-22(3,4)25-17(2)18-11-7-5-8-12-18;;/h5-14,16-17,20,25H,15,23H2,1-4H3,(H,24,26);2*1H
InChIKeyZYJMGWCEOFJOPF-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.41
Rot. Bonds8

About 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride

3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119877886) has the molecular formula C22H33Cl2N3O and a molecular weight of 426.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119877886
Molecular FormulaC22H33Cl2N3O
Molecular Weight426.43 g/mol
Exact Mass425.20
IUPAC Name3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(NC(C)(C)CNC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C22H31N3O.2ClH/c1-16(20(23)19-13-9-6-10-14-19)21(26)24-15-22(3,4)25-17(2)18-11-7-5-8-12-18;;/h5-14,16-17,20,25H,15,23H2,1-4H3,(H,24,26);2*1H
InChIKeyZYJMGWCEOFJOPF-UHFFFAOYSA-N
XLogP4.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide
CID 119877877
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride (CID 119877886) is 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride is CC(NC(C)(C)CNC(=O)C(C)C(N)c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is ZYJMGWCEOFJOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.2ClH/c1-16(20(23)19-13-9-6-10-14-19)21(26)24-15-22(3,4)25-17(2)18-11-7-5-8-12-18;;/h5-14,16-17,20,25H,15,23H2,1-4H3,(H,24,26);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride?
3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 426.43 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119877886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).