2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide

C15H24N2OS — CID 112659179

IUPAC2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
SMILESCCC(CSC)N(C)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-5-13(11-19-4)17(3)14(18)15(2,16)12-9-7-6-8-10-12/h6-10,13H,5,11,16H2,1-4H3
InChIKeyMMYPLTPFDHPUFO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.46
Rot. Bonds6

About 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide (PubChem CID 112659179) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
PubChem CID112659179
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
SMILESCCC(CSC)N(C)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-5-13(11-19-4)17(3)14(18)15(2,16)12-9-7-6-8-10-12/h6-10,13H,5,11,16H2,1-4H3
InChIKeyMMYPLTPFDHPUFO-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
CID 62487543
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112551674
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-[(2-amino-2-phenylpropanoyl)-(carboxymethyl)amino]acetic acid
CID 63645589
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide (CID 112659179) is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide is CCC(CSC)N(C)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide?
The InChIKey is MMYPLTPFDHPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-13(11-19-4)17(3)14(18)15(2,16)12-9-7-6-8-10-12/h6-10,13H,5,11,16H2,1-4H3.
What are the key properties of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide?
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 112659179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).