N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide

C34H69NO4 — CID 138124268

IUPACN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39)
InChIKeyBAILGLNXSFONEQ-UHFFFAOYSA-N
MW555.93 g/mol
LogP8.76
Rot. Bonds31

About N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide

N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide (PubChem CID 138124268) has the molecular formula C34H69NO4 and a molecular weight of 555.93 g/mol. Its IUPAC name is N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
PubChem CID138124268
Molecular FormulaC34H69NO4
Molecular Weight555.93 g/mol
Exact Mass555.52
IUPAC NameN-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
SMILESCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39)
InChIKeyBAILGLNXSFONEQ-UHFFFAOYSA-N
XLogP8.76
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.93
LogP ≤ 58.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyoctatriacontanamide
CID 138236672
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234
N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
CID 138167755
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyheptacosanamide
CID 138189483
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxydotetracontanamide
CID 138251603
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxynonacosanamide
CID 138191913
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxyicosanamide
CID 138147990

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide?
The IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide (CID 138124268) is N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide.
What is the SMILES notation for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide?
The canonical SMILES for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide is CCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide?
The InChIKey is BAILGLNXSFONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39).
What are the key properties of N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide?
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide has a molecular weight of 555.93 g/mol, XLogP of 8.76, 31 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide is sourced from PubChem (CID 138124268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).