N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide

C22H37NO3 — CID 156581196

IUPACN-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C22H37NO3/c1-3-4-5-6-7-8-9-10-11-12-22(26)21(23-18(2)24)17-19-13-15-20(25)16-14-19/h13-16,21-22,25-26H,3-12,17H2,1-2H3,(H,23,24)/t21-,22+/m0/s1
InChIKeyVDRXPHQBEHCMHT-FCHUYYIVSA-N
MW363.54 g/mol
LogP4.72
Rot. Bonds14

About N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide

N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide (PubChem CID 156581196) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
PubChem CID156581196
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C22H37NO3/c1-3-4-5-6-7-8-9-10-11-12-22(26)21(23-18(2)24)17-19-13-15-20(25)16-14-19/h13-16,21-22,25-26H,3-12,17H2,1-2H3,(H,23,24)/t21-,22+/m0/s1
InChIKeyVDRXPHQBEHCMHT-FCHUYYIVSA-N
XLogP4.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.72
H-Bond Donors ≤ 53
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-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide
CID 163111408
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
CID 118735813
4-(2-butyltetradecyl)phenol
CID 70630098
4-(2-aminooctyl)phenol
CID 69403996
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
CID 102031408
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 171461966
methyl 2-[(4-hydroxyphenyl)methyl]heptanoate
CID 175479386
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide (CID 156581196) is N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide is CCCCCCCCCCC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide?
The InChIKey is VDRXPHQBEHCMHT-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H37NO3/c1-3-4-5-6-7-8-9-10-11-12-22(26)21(23-18(2)24)17-19-13-15-20(25)16-14-19/h13-16,21-22,25-26H,3-12,17H2,1-2H3,(H,23,24)/t21-,22+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide?
N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide has a molecular weight of 363.54 g/mol, XLogP of 4.72, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide is sourced from PubChem (CID 156581196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).