N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide

C24H39NO3 — CID 163111408

IUPACN-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide
SMILESCCCCCCCCCC=CCCC(O)C(Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)23(25-20(2)26)19-21-15-17-22(27)18-16-21/h11-12,15-18,23-24,27-28H,3-10,13-14,19H2,1-2H3,(H,25,26)
InChIKeyNAOUJBXEYKZIHI-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.28
Rot. Bonds15

About N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide

N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide (PubChem CID 163111408) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide
PubChem CID163111408
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC NameN-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide
SMILESCCCCCCCCCC=CCCC(O)C(Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)23(25-20(2)26)19-21-15-17-22(27)18-16-21/h11-12,15-18,23-24,27-28H,3-10,13-14,19H2,1-2H3,(H,25,26)
InChIKeyNAOUJBXEYKZIHI-UHFFFAOYSA-N
XLogP5.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-3-hydroxy-1-(4-hydroxyphenyl)tetradecan-2-yl]acetamide
CID 156581196
(2S)-3-(4-hydroxyphenyl)-2-(icosa-11,14-dienoylamino)propanoic acid
CID 6709846
(2S)-3-(4-hydroxyphenyl)-2-(pentadec-2-enoylamino)propanoic acid
CID 71418043
tert-butyl N-[(Z)-1-(4-hydroxyphenyl)non-3-en-2-yl]carbamate
CID 147005725
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
N-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712413
(Z)-N-(1,3-dihydroxyheptadecan-2-yl)-2-hydroxydodec-5-enamide
CID 138237397
N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
CID 54753225
N-[(E,2S,3R)-1,3-dihydroxyhenicos-8-en-2-yl]nonadecanamide
CID 134729344
(Z)-N-(1,3-dihydroxytetracosan-2-yl)tetratriacont-19-enamide
CID 138135631
(Z)-N-(1,3-dihydroxypentacosan-2-yl)hexatriacont-21-enamide
CID 138267011

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide (CID 163111408) is N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide is CCCCCCCCCC=CCCC(O)C(Cc1ccc(O)cc1)NC(C)=O.
What is the InChIKey of N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide?
The InChIKey is NAOUJBXEYKZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-24(28)23(25-20(2)26)19-21-15-17-22(27)18-16-21/h11-12,15-18,23-24,27-28H,3-10,13-14,19H2,1-2H3,(H,25,26).
What are the key properties of N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide?
N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide has a molecular weight of 389.58 g/mol, XLogP of 5.28, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-hydroxyphenyl)hexadec-6-en-2-yl]acetamide is sourced from PubChem (CID 163111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).