N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide

C33H67NO4 — CID 138273723

IUPACN-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCCCC
InChIInChI=1S/C33H67NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(37)31(29-35)34-33(38)28-30(36)26-24-22-20-18-12-10-8-6-4-2/h30-32,35-37H,3-29H2,1-2H3,(H,34,38)
InChIKeyUPLTXHIVWLWVJS-UHFFFAOYSA-N
MW541.90 g/mol
LogP8.37
Rot. Bonds30

About N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide

N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide (PubChem CID 138273723) has the molecular formula C33H67NO4 and a molecular weight of 541.90 g/mol. Its IUPAC name is N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
PubChem CID138273723
Molecular FormulaC33H67NO4
Molecular Weight541.90 g/mol
Exact Mass541.51
IUPAC NameN-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCCCC
InChIInChI=1S/C33H67NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(37)31(29-35)34-33(38)28-30(36)26-24-22-20-18-12-10-8-6-4-2/h30-32,35-37H,3-29H2,1-2H3,(H,34,38)
InChIKeyUPLTXHIVWLWVJS-UHFFFAOYSA-N
XLogP8.37
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.90
LogP ≤ 58.37
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-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-3-hydroxydecanamide
CID 22974276
N-(1,3-dihydroxytriacontan-2-yl)-3-hydroxytetratriacontanamide
CID 138172500
N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
CID 138131221
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxydodecanamide
CID 138132813
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxydocosanamide
CID 138280375
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyheptacosanamide
CID 138122389
N-(1,3-dihydroxyhexadecan-2-yl)-3-hydroxyoctacosanamide
CID 138245888
N-(1,3-dihydroxyoctacosan-2-yl)-3-hydroxytriacontanamide
CID 138303434
N-(1,3-dihydroxyhenicosan-2-yl)-3-hydroxyhexacosanamide
CID 138217183
N-(1,3-dihydroxyheptacosan-2-yl)-3-hydroxyhexatriacontanamide
CID 138141130
N-(1,3-dihydroxyicosan-2-yl)-3-hydroxytriacontanamide
CID 138125815
N-(1,3-dihydroxynonacosan-2-yl)-3-hydroxyoctadecanamide
CID 138227500

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide?
The IUPAC name of N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide (CID 138273723) is N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide.
What is the SMILES notation for N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide?
The canonical SMILES for N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide is CCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide?
The InChIKey is UPLTXHIVWLWVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(37)31(29-35)34-33(38)28-30(36)26-24-22-20-18-12-10-8-6-4-2/h30-32,35-37H,3-29H2,1-2H3,(H,34,38).
What are the key properties of N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide?
N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide has a molecular weight of 541.90 g/mol, XLogP of 8.37, 30 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide is sourced from PubChem (CID 138273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).