N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide

C20H33NO2S — CID 170392078

IUPACN-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide
SMILESCCCCC(CCCCC(=O)NC(C)Cc1ccc(O)cc1)SC
InChIInChI=1S/C20H33NO2S/c1-4-5-8-19(24-3)9-6-7-10-20(23)21-16(2)15-17-11-13-18(22)14-12-17/h11-14,16,19,22H,4-10,15H2,1-3H3,(H,21,23)
InChIKeyIYYJQJJQSFXWSI-UHFFFAOYSA-N
MW351.56 g/mol
LogP4.92
Rot. Bonds12

About N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide

N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide (PubChem CID 170392078) has the molecular formula C20H33NO2S and a molecular weight of 351.56 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide
PubChem CID170392078
Molecular FormulaC20H33NO2S
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC NameN-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide
SMILESCCCCC(CCCCC(=O)NC(C)Cc1ccc(O)cc1)SC
InChIInChI=1S/C20H33NO2S/c1-4-5-8-19(24-3)9-6-7-10-20(23)21-16(2)15-17-11-13-18(22)14-12-17/h11-14,16,19,22H,4-10,15H2,1-3H3,(H,21,23)
InChIKeyIYYJQJJQSFXWSI-UHFFFAOYSA-N
XLogP4.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 54.92
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

ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
(2R)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid
CID 6709905
methyl 2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 4502358
[4-[(2R)-2-(hexadecanoylamino)propyl]phenyl] dihydrogen phosphate
CID 70644711
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexadecanamide
CID 46940649
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 6709913
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide (CID 170392078) is N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide is CCCCC(CCCCC(=O)NC(C)Cc1ccc(O)cc1)SC.
What is the InChIKey of N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide?
The InChIKey is IYYJQJJQSFXWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2S/c1-4-5-8-19(24-3)9-6-7-10-20(23)21-16(2)15-17-11-13-18(22)14-12-17/h11-14,16,19,22H,4-10,15H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide?
N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide has a molecular weight of 351.56 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide is sourced from PubChem (CID 170392078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).