N-[3-(triacontanoylamino)propyl]triacontanamide

C63H126N2O2 — CID 89373214

IUPACN-[3-(triacontanoylamino)propyl]triacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H126N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-58-62(66)64-60-57-61-65-63(67)59-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-61H2,1-2H3,(H,64,66)(H,65,67)
InChIKeyAOSAIBQXJKKONG-UHFFFAOYSA-N
MW943.71 g/mol
LogP21.49
Rot. Bonds60

About N-[3-(triacontanoylamino)propyl]triacontanamide

N-[3-(triacontanoylamino)propyl]triacontanamide (PubChem CID 89373214) has the molecular formula C63H126N2O2 and a molecular weight of 943.71 g/mol. Its IUPAC name is N-[3-(triacontanoylamino)propyl]triacontanamide.

Molecular Properties

Compound NameN-[3-(triacontanoylamino)propyl]triacontanamide
PubChem CID89373214
Molecular FormulaC63H126N2O2
Molecular Weight943.71 g/mol
Exact Mass942.98
IUPAC NameN-[3-(triacontanoylamino)propyl]triacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C63H126N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-58-62(66)64-60-57-61-65-63(67)59-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-61H2,1-2H3,(H,64,66)(H,65,67)
InChIKeyAOSAIBQXJKKONG-UHFFFAOYSA-N
XLogP21.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds60
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.71
LogP ≤ 521.49
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,N'-dihexadecyldecanediamide
CID 17080069
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(triacontanoylamino)propyl]triacontanamide?
The IUPAC name of N-[3-(triacontanoylamino)propyl]triacontanamide (CID 89373214) is N-[3-(triacontanoylamino)propyl]triacontanamide.
What is the SMILES notation for N-[3-(triacontanoylamino)propyl]triacontanamide?
The canonical SMILES for N-[3-(triacontanoylamino)propyl]triacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[3-(triacontanoylamino)propyl]triacontanamide?
The InChIKey is AOSAIBQXJKKONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H126N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-58-62(66)64-60-57-61-65-63(67)59-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-61H2,1-2H3,(H,64,66)(H,65,67).
What are the key properties of N-[3-(triacontanoylamino)propyl]triacontanamide?
N-[3-(triacontanoylamino)propyl]triacontanamide has a molecular weight of 943.71 g/mol, XLogP of 21.49, 60 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(triacontanoylamino)propyl]triacontanamide is sourced from PubChem (CID 89373214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).