(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide

C31H55NO3 — CID 161205386

IUPAC(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide
SMILESCCCCCCCCCCC[C@H](CC(=O)NCCCCCCCCCCO)OCc1ccccc1
InChIInChI=1S/C31H55NO3/c1-2-3-4-5-6-7-10-13-19-24-30(35-28-29-22-17-16-18-23-29)27-31(34)32-25-20-14-11-8-9-12-15-21-26-33/h16-18,22-23,30,33H,2-15,19-21,24-28H2,1H3,(H,32,34)/t30-/m1/s1
InChIKeyUVNKURLXPGEPOL-SSEXGKCCSA-N
MW489.79 g/mol
LogP8.11
Rot. Bonds25

About (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide

(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide (PubChem CID 161205386) has the molecular formula C31H55NO3 and a molecular weight of 489.79 g/mol. Its IUPAC name is (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide.

Molecular Properties

Compound Name(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide
PubChem CID161205386
Molecular FormulaC31H55NO3
Molecular Weight489.79 g/mol
Exact Mass489.42
IUPAC Name(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide
SMILESCCCCCCCCCCC[C@H](CC(=O)NCCCCCCCCCCO)OCc1ccccc1
InChIInChI=1S/C31H55NO3/c1-2-3-4-5-6-7-10-13-19-24-30(35-28-29-22-17-16-18-23-29)27-31(34)32-25-20-14-11-8-9-12-15-21-26-33/h16-18,22-23,30,33H,2-15,19-21,24-28H2,1H3,(H,32,34)/t30-/m1/s1
InChIKeyUVNKURLXPGEPOL-SSEXGKCCSA-N
XLogP8.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.79
LogP ≤ 58.11
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

4-phenylmethoxynonadecan-1-ol
CID 15735676
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
13-acetyloxy-3-phenylmethoxyoctadecanoic acid
CID 101300677
N-[(2R)-5-(hept-6-enylamino)-1-hydroxypentan-2-yl]-3-phenylmethoxytetradecanamide
CID 67493683
[1-(4-hydroxybutylamino)-1-oxotetradecan-3-yl] tetradecanoate
CID 22053169
[1-(6-hydroxyhexylamino)-1-oxotetradecan-3-yl] tetradecanoate
CID 22053242
6-acetyloxy-3-phenylmethoxyoctadecanoic acid
CID 101300663
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
(3R)-N-[10-hydroxy-1-(oxan-2-yloxy)decan-2-yl]-3-phenylmethoxytetradecanamide
CID 141044601
18-hydroxy-11-phenylmethoxyoctadecanoic acid
CID 101300347

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide?
The IUPAC name of (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide (CID 161205386) is (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide.
What is the SMILES notation for (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide?
The canonical SMILES for (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide is CCCCCCCCCCC[C@H](CC(=O)NCCCCCCCCCCO)OCc1ccccc1.
What is the InChIKey of (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide?
The InChIKey is UVNKURLXPGEPOL-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H55NO3/c1-2-3-4-5-6-7-10-13-19-24-30(35-28-29-22-17-16-18-23-29)27-31(34)32-25-20-14-11-8-9-12-15-21-26-33/h16-18,22-23,30,33H,2-15,19-21,24-28H2,1H3,(H,32,34)/t30-/m1/s1.
What are the key properties of (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide?
(3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide has a molecular weight of 489.79 g/mol, XLogP of 8.11, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(10-hydroxydecyl)-3-phenylmethoxytetradecanamide is sourced from PubChem (CID 161205386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).