N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide

C17H27NO2S — CID 14392586

IUPACN-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(SC)c1
InChIInChI=1S/C17H27NO2S/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChIKeyWPLLBBMEOJFLSQ-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.48
Rot. Bonds10

About N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide

N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide (PubChem CID 14392586) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
PubChem CID14392586
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(O)c(SC)c1
InChIInChI=1S/C17H27NO2S/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChIKeyWPLLBBMEOJFLSQ-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.48
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-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-benzylundecanamide
CID 5078198

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide?
The IUPAC name of N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide (CID 14392586) is N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide?
The canonical SMILES for N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(O)c(SC)c1.
What is the InChIKey of N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide?
The InChIKey is WPLLBBMEOJFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide?
N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide has a molecular weight of 309.48 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide is sourced from PubChem (CID 14392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).