N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide

C35H71NO2 — CID 90449017

IUPACN-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)34(32-37)36-35(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33-34,37H,4-32H2,1-3H3,(H,36,38)/t33?,34-/m0/s1
InChIKeyGBNWNGAZLIJMHB-DNKZHYAASA-N
MW537.96 g/mol
LogP11.06
Rot. Bonds31

About N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide

N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide (PubChem CID 90449017) has the molecular formula C35H71NO2 and a molecular weight of 537.96 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
PubChem CID90449017
Molecular FormulaC35H71NO2
Molecular Weight537.96 g/mol
Exact Mass537.55
IUPAC NameN-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C35H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)34(32-37)36-35(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33-34,37H,4-32H2,1-3H3,(H,36,38)/t33?,34-/m0/s1
InChIKeyGBNWNGAZLIJMHB-DNKZHYAASA-N
XLogP11.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.96
LogP ≤ 511.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(1,3-dihydroxyicosan-2-yl)heptadecanamide
CID 21259878
N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
CID 138284441
N-(1,3-dihydroxypentacosan-2-yl)tetracontanamide
CID 138123678
N-(1,3-dihydroxynonadecan-2-yl)triacontanamide
CID 138226713
N-[(2S,3R)-1,3-dihydroxyhenicosan-2-yl]octadecanamide
CID 134766399
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385
N-(1,3-dihydroxytetradecan-2-yl)hentriacontanamide
CID 138137610
N-(1,3-dihydroxyoctacosan-2-yl)hexadecanamide
CID 138148821
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide (CID 90449017) is N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(C)CCCCCCCCCCCCCCC.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide?
The InChIKey is GBNWNGAZLIJMHB-DNKZHYAASA-N. The full InChI is InChI=1S/C35H71NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)34(32-37)36-35(38)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33-34,37H,4-32H2,1-3H3,(H,36,38)/t33?,34-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide?
N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide has a molecular weight of 537.96 g/mol, XLogP of 11.06, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide is sourced from PubChem (CID 90449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).