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

C45H91NO4 — CID 138131221

IUPACN-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-42(48)40-45(50)46-43(41-47)44(49)39-37-35-33-31-14-12-10-8-6-4-2/h42-44,47-49H,3-41H2,1-2H3,(H,46,50)
InChIKeyBVZZJNPOTLRQRC-UHFFFAOYSA-N
MW710.23 g/mol
LogP13.05
Rot. Bonds42

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

N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide (PubChem CID 138131221) has the molecular formula C45H91NO4 and a molecular weight of 710.23 g/mol. Its IUPAC name is N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
PubChem CID138131221
Molecular FormulaC45H91NO4
Molecular Weight710.23 g/mol
Exact Mass709.69
IUPAC NameN-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)NC(CO)C(O)CCCCCCCCCCCC
InChIInChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-42(48)40-45(50)46-43(41-47)44(49)39-37-35-33-31-14-12-10-8-6-4-2/h42-44,47-49H,3-41H2,1-2H3,(H,46,50)
InChIKeyBVZZJNPOTLRQRC-UHFFFAOYSA-N
XLogP13.05
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.23
LogP ≤ 513.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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-dihydroxynonadecan-2-yl)-3-hydroxytetradecanamide
CID 138273723
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-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide?
The IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide (CID 138131221) is N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide.
What is the SMILES notation for N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide?
The canonical SMILES for N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)NC(CO)C(O)CCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide?
The InChIKey is BVZZJNPOTLRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-42(48)40-45(50)46-43(41-47)44(49)39-37-35-33-31-14-12-10-8-6-4-2/h42-44,47-49H,3-41H2,1-2H3,(H,46,50).
What are the key properties of N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide?
N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxytriacontanamide has a molecular weight of 710.23 g/mol, XLogP of 13.05, 42 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)-3-hydroxytriacontanamide is sourced from PubChem (CID 138131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).