2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C20H26N2O2S — CID 8814616

IUPAC2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCCOc1cccc(C)c1
InChIInChI=1S/C20H26N2O2S/c1-16-8-6-9-17(14-16)24-13-7-12-22(2)15-20(23)21-18-10-4-5-11-19(18)25-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23)
InChIKeyYLULYXAEKMGOHV-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.06
Rot. Bonds9

About 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 8814616) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID8814616
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CCCOc1cccc(C)c1
InChIInChI=1S/C20H26N2O2S/c1-16-8-6-9-17(14-16)24-13-7-12-22(2)15-20(23)21-18-10-4-5-11-19(18)25-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23)
InChIKeyYLULYXAEKMGOHV-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(3-methylphenoxy)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]butanamide
CID 40689264
N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
CID 8793773
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-phenoxybutanamide
CID 38764417
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 8814616) is 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CCCOc1cccc(C)c1.
What is the InChIKey of 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is YLULYXAEKMGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-8-6-9-17(14-16)24-13-7-12-22(2)15-20(23)21-18-10-4-5-11-19(18)25-3/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 8814616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).