N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide

C13H21N3OS — CID 112657351

IUPACN-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
SMILESCSCCN(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H21N3OS/c1-10-4-5-12(11(14)8-10)15-13(17)9-16(2)6-7-18-3/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyIUNFUTHCUHDLKV-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.81
Rot. Bonds6

About N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide

N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide (PubChem CID 112657351) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
PubChem CID112657351
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
SMILESCSCCN(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H21N3OS/c1-10-4-5-12(11(14)8-10)15-13(17)9-16(2)6-7-18-3/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17)
InChIKeyIUNFUTHCUHDLKV-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-methylphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 43375756
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
CID 78862578
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478740
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide (CID 112657351) is N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide is CSCCN(C)CC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
The InChIKey is IUNFUTHCUHDLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-4-5-12(11(14)8-10)15-13(17)9-16(2)6-7-18-3/h4-5,8H,6-7,9,14H2,1-3H3,(H,15,17).
What are the key properties of N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide?
N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide has a molecular weight of 267.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide is sourced from PubChem (CID 112657351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).