N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide

C16H25NO2S — CID 103771004

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(C)CC(O)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-13(2)10-15(18)11-17-16(19)12-20-9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3,(H,17,19)
InChIKeyRPZRVSZRQATAIP-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.49
Rot. Bonds9

About N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 103771004) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
PubChem CID103771004
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(C)CC(O)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-13(2)10-15(18)11-17-16(19)12-20-9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3,(H,17,19)
InChIKeyRPZRVSZRQATAIP-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.49
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

N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
CID 106164880
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 111119954
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
CID 103771239
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
1-(2-hydroxy-4-methylpentyl)-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111453417
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
3-hydroxy-3-methyl-4-[[2-(2-phenylethylsulfanyl)acetyl]amino]butanoic acid
CID 66001112
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide (CID 103771004) is N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide is CC(C)CC(O)CNC(=O)CSCCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is RPZRVSZRQATAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-13(2)10-15(18)11-17-16(19)12-20-9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 103771004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).