N-octadecan-2-ylhexadecanamide

C34H69NO — CID 87600664

IUPACN-octadecan-2-ylhexadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33(3)35-34(36)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3,(H,35,36)
InChIKeyQASRYZWCYPIYCR-UHFFFAOYSA-N
MW507.93 g/mol
LogP11.84
Rot. Bonds30

About N-octadecan-2-ylhexadecanamide

N-octadecan-2-ylhexadecanamide (PubChem CID 87600664) has the molecular formula C34H69NO and a molecular weight of 507.93 g/mol. Its IUPAC name is N-octadecan-2-ylhexadecanamide.

Molecular Properties

Compound NameN-octadecan-2-ylhexadecanamide
PubChem CID87600664
Molecular FormulaC34H69NO
Molecular Weight507.93 g/mol
Exact Mass507.54
IUPAC NameN-octadecan-2-ylhexadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33(3)35-34(36)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3,(H,35,36)
InChIKeyQASRYZWCYPIYCR-UHFFFAOYSA-N
XLogP11.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.93
LogP ≤ 511.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yldodecanamide
CID 3484810
N-pentan-2-ylundecanamide
CID 173258559
N-(6-aminohexan-2-yl)octanamide
CID 123172105
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877
N-dodecan-2-ylpropanamide
CID 174988669
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-heptan-2-ylhept-6-enamide
CID 166754138
4-acetamido-N-octan-2-ylbutanamide
CID 90319898
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041

Frequently Asked Questions

What is the IUPAC name of N-octadecan-2-ylhexadecanamide?
The IUPAC name of N-octadecan-2-ylhexadecanamide (CID 87600664) is N-octadecan-2-ylhexadecanamide.
What is the SMILES notation for N-octadecan-2-ylhexadecanamide?
The canonical SMILES for N-octadecan-2-ylhexadecanamide is CCCCCCCCCCCCCCCCC(C)NC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-octadecan-2-ylhexadecanamide?
The InChIKey is QASRYZWCYPIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33(3)35-34(36)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3,(H,35,36).
What are the key properties of N-octadecan-2-ylhexadecanamide?
N-octadecan-2-ylhexadecanamide has a molecular weight of 507.93 g/mol, XLogP of 11.84, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecan-2-ylhexadecanamide is sourced from PubChem (CID 87600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).