2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide

C16H26N2OS — CID 106151577

IUPAC2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)c1ccc(C)cc1)SC
InChIInChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)11-18-15(19)14(17)13-9-7-12(3)8-10-13/h7-10,14H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyYAYXVUOMBAHCEZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.03
Rot. Bonds7

About 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide (PubChem CID 106151577) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
PubChem CID106151577
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)c1ccc(C)cc1)SC
InChIInChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)11-18-15(19)14(17)13-9-7-12(3)8-10-13/h7-10,14H,5-6,11,17H2,1-4H3,(H,18,19)
InChIKeyYAYXVUOMBAHCEZ-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 106312475
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide (CID 106151577) is 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide is CCC(CC)(CNC(=O)C(N)c1ccc(C)cc1)SC.
What is the InChIKey of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide?
The InChIKey is YAYXVUOMBAHCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)11-18-15(19)14(17)13-9-7-12(3)8-10-13/h7-10,14H,5-6,11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).