N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide

C38H75NO2 — CID 58241411

IUPACN-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(O)CCCCCCCCCC1CC1CCCCCC
InChIInChI=1S/C38H75NO2/c1-4-7-9-11-12-13-14-15-16-17-21-24-28-32-38(41)39-36(6-3)37(40)31-27-23-20-18-19-22-26-30-35-33-34(35)29-25-10-8-5-2/h34-37,40H,4-33H2,1-3H3,(H,39,41)
InChIKeyQYDVPGPZKWVZCZ-UHFFFAOYSA-N
MW578.02 g/mol
LogP11.84
Rot. Bonds32

About N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide

N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide (PubChem CID 58241411) has the molecular formula C38H75NO2 and a molecular weight of 578.02 g/mol. Its IUPAC name is N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide.

Molecular Properties

Compound NameN-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide
PubChem CID58241411
Molecular FormulaC38H75NO2
Molecular Weight578.02 g/mol
Exact Mass577.58
IUPAC NameN-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(O)CCCCCCCCCC1CC1CCCCCC
InChIInChI=1S/C38H75NO2/c1-4-7-9-11-12-13-14-15-16-17-21-24-28-32-38(41)39-36(6-3)37(40)31-27-23-20-18-19-22-26-30-35-33-34(35)29-25-10-8-5-2/h34-37,40H,4-33H2,1-3H3,(H,39,41)
InChIKeyQYDVPGPZKWVZCZ-UHFFFAOYSA-N
XLogP11.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.02
LogP ≤ 511.84
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-(4-hydroxyhenicos-14-en-3-yl)tetradecanamide
CID 76712413
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
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

Frequently Asked Questions

What is the IUPAC name of N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide?
The IUPAC name of N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide (CID 58241411) is N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide.
What is the SMILES notation for N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide?
The canonical SMILES for N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(CC)C(O)CCCCCCCCCC1CC1CCCCCC.
What is the InChIKey of N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide?
The InChIKey is QYDVPGPZKWVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H75NO2/c1-4-7-9-11-12-13-14-15-16-17-21-24-28-32-38(41)39-36(6-3)37(40)31-27-23-20-18-19-22-26-30-35-33-34(35)29-25-10-8-5-2/h34-37,40H,4-33H2,1-3H3,(H,39,41).
What are the key properties of N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide?
N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide has a molecular weight of 578.02 g/mol, XLogP of 11.84, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[13-(2-hexylcyclopropyl)-4-hydroxytridecan-3-yl]hexadecanamide is sourced from PubChem (CID 58241411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).