2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide

C16H26N2OS — CID 106312957

IUPAC2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
SMILESCSCCCCCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2OS/c1-13-7-9-14(10-8-13)15(17)16(19)18-11-5-3-4-6-12-20-2/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeySLZGGJREHJIAKW-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.03
Rot. Bonds9

About 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide

2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide (PubChem CID 106312957) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
PubChem CID106312957
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
SMILESCSCCCCCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2OS/c1-13-7-9-14(10-8-13)15(17)16(19)18-11-5-3-4-6-12-20-2/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeySLZGGJREHJIAKW-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106313007
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 106312233
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide (CID 106312957) is 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide is CSCCCCCCNC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide?
The InChIKey is SLZGGJREHJIAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-7-9-14(10-8-13)15(17)16(19)18-11-5-3-4-6-12-20-2/h7-10,15H,3-6,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide?
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide is sourced from PubChem (CID 106312957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).