N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide

C15H23NO2S — CID 115691637

IUPACN-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(O)CCN(C)C(=O)CSCCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(17)8-10-16(2)15(18)12-19-11-9-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyMNTZIQADJLDCLQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.19
Rot. Bonds8

About N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide

N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 115691637) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
PubChem CID115691637
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(O)CCN(C)C(=O)CSCCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(17)8-10-16(2)15(18)12-19-11-9-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyMNTZIQADJLDCLQ-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
2-[methyl-[2-(2-phenylethylsulfanyl)acetyl]amino]propanoic acid
CID 62626571
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide
CID 43572938
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480
3-[[2-(2-phenylethylsulfanyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60831754
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-benzyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43392395
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770
2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide (CID 115691637) is N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide is CC(O)CCN(C)C(=O)CSCCc1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is MNTZIQADJLDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(17)8-10-16(2)15(18)12-19-11-9-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide?
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 115691637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).