N,N'-dihexadecyldecanediamide

C42H84N2O2 — CID 17080069

IUPACN,N'-dihexadecyldecanediamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-41(45)37-33-29-25-26-30-34-38-42(46)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyHECCBJZTWBPHLY-UHFFFAOYSA-N
MW649.15 g/mol
LogP13.30
Rot. Bonds39

About N,N'-dihexadecyldecanediamide

N,N'-dihexadecyldecanediamide (PubChem CID 17080069) has the molecular formula C42H84N2O2 and a molecular weight of 649.15 g/mol. Its IUPAC name is N,N'-dihexadecyldecanediamide.

Molecular Properties

Compound NameN,N'-dihexadecyldecanediamide
PubChem CID17080069
Molecular FormulaC42H84N2O2
Molecular Weight649.15 g/mol
Exact Mass648.65
IUPAC NameN,N'-dihexadecyldecanediamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-41(45)37-33-29-25-26-30-34-38-42(46)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyHECCBJZTWBPHLY-UHFFFAOYSA-N
XLogP13.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds39
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.15
LogP ≤ 513.30
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N,N'-dihexadecyldecanediamide?
The IUPAC name of N,N'-dihexadecyldecanediamide (CID 17080069) is N,N'-dihexadecyldecanediamide.
What is the SMILES notation for N,N'-dihexadecyldecanediamide?
The canonical SMILES for N,N'-dihexadecyldecanediamide is CCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N'-dihexadecyldecanediamide?
The InChIKey is HECCBJZTWBPHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-41(45)37-33-29-25-26-30-34-38-42(46)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46).
What are the key properties of N,N'-dihexadecyldecanediamide?
N,N'-dihexadecyldecanediamide has a molecular weight of 649.15 g/mol, XLogP of 13.30, 39 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexadecyldecanediamide is sourced from PubChem (CID 17080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).