11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide

C30H51NO3S — CID 18983659

IUPAC11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide
SMILESCCCCCCCCCCSCCCCCCCCCCC(=O)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C30H51NO3S/c1-2-3-4-5-6-10-13-16-25-35-26-17-14-11-8-7-9-12-15-18-29(33)31-30(34)24-21-27-19-22-28(32)23-20-27/h19-20,22-23,32H,2-18,21,24-26H2,1H3,(H,31,33,34)
InChIKeyNFCTWOXCKHIEFI-UHFFFAOYSA-N
MW505.81 g/mol
LogP8.35
Rot. Bonds23

About 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide

11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide (PubChem CID 18983659) has the molecular formula C30H51NO3S and a molecular weight of 505.81 g/mol. Its IUPAC name is 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide.

Molecular Properties

Compound Name11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide
PubChem CID18983659
Molecular FormulaC30H51NO3S
Molecular Weight505.81 g/mol
Exact Mass505.36
IUPAC Name11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide
SMILESCCCCCCCCCCSCCCCCCCCCCC(=O)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C30H51NO3S/c1-2-3-4-5-6-10-13-16-25-35-26-17-14-11-8-7-9-12-15-18-29(33)31-30(34)24-21-27-19-22-28(32)23-20-27/h19-20,22-23,32H,2-18,21,24-26H2,1H3,(H,31,33,34)
InChIKeyNFCTWOXCKHIEFI-UHFFFAOYSA-N
XLogP8.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.81
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-hentriacontanoyl-4-hydroxybenzamide
CID 139845214
3-(4-hydroxyphenyl)-N-trideca-1,3-dienylpropanamide
CID 163028124
N-decanoyldecanamide
CID 87914075
1-(11-decylsulfanylundecyl)-3-[(4-hydroxyphenyl)methylamino]urea
CID 139985310
N-octanoyloctanamide;hydrobromide
CID 175059894
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
11-octadecylsulfanylundecanehydrazide
CID 18183822
(2R)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 156648795
N-(2-phenylacetyl)octadecanamide
CID 175258087
tris(4-octylphenol);propane
CID 90866185

Frequently Asked Questions

What is the IUPAC name of 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide?
The IUPAC name of 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide (CID 18983659) is 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide.
What is the SMILES notation for 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide?
The canonical SMILES for 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide is CCCCCCCCCCSCCCCCCCCCCC(=O)NC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide?
The InChIKey is NFCTWOXCKHIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51NO3S/c1-2-3-4-5-6-10-13-16-25-35-26-17-14-11-8-7-9-12-15-18-29(33)31-30(34)24-21-27-19-22-28(32)23-20-27/h19-20,22-23,32H,2-18,21,24-26H2,1H3,(H,31,33,34).
What are the key properties of 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide?
11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide has a molecular weight of 505.81 g/mol, XLogP of 8.35, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decylsulfanyl-N-[3-(4-hydroxyphenyl)propanoyl]undecanamide is sourced from PubChem (CID 18983659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).