N-[6-(pentadecanoylamino)hexyl]pentadecanamide

C36H72N2O2 — CID 102117556

IUPACN-[6-(pentadecanoylamino)hexyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35(39)37-33-29-25-26-30-34-38-36(40)32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyYAMAKQKBJJRQPN-UHFFFAOYSA-N
MW564.98 g/mol
LogP10.96
Rot. Bonds33

About N-[6-(pentadecanoylamino)hexyl]pentadecanamide

N-[6-(pentadecanoylamino)hexyl]pentadecanamide (PubChem CID 102117556) has the molecular formula C36H72N2O2 and a molecular weight of 564.98 g/mol. Its IUPAC name is N-[6-(pentadecanoylamino)hexyl]pentadecanamide.

Molecular Properties

Compound NameN-[6-(pentadecanoylamino)hexyl]pentadecanamide
PubChem CID102117556
Molecular FormulaC36H72N2O2
Molecular Weight564.98 g/mol
Exact Mass564.56
IUPAC NameN-[6-(pentadecanoylamino)hexyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35(39)37-33-29-25-26-30-34-38-36(40)32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyYAMAKQKBJJRQPN-UHFFFAOYSA-N
XLogP10.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.98
LogP ≤ 510.96
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-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
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-[6-(pentadecanoylamino)hexyl]pentadecanamide?
The IUPAC name of N-[6-(pentadecanoylamino)hexyl]pentadecanamide (CID 102117556) is N-[6-(pentadecanoylamino)hexyl]pentadecanamide.
What is the SMILES notation for N-[6-(pentadecanoylamino)hexyl]pentadecanamide?
The canonical SMILES for N-[6-(pentadecanoylamino)hexyl]pentadecanamide is CCCCCCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCCCCC.
What is the InChIKey of N-[6-(pentadecanoylamino)hexyl]pentadecanamide?
The InChIKey is YAMAKQKBJJRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35(39)37-33-29-25-26-30-34-38-36(40)32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of N-[6-(pentadecanoylamino)hexyl]pentadecanamide?
N-[6-(pentadecanoylamino)hexyl]pentadecanamide has a molecular weight of 564.98 g/mol, XLogP of 10.96, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pentadecanoylamino)hexyl]pentadecanamide is sourced from PubChem (CID 102117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).