N-[2-(heptadecanoylamino)ethyl]heptadecanamide

C36H72N2O2 — CID 22065407

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

About N-[2-(heptadecanoylamino)ethyl]heptadecanamide

N-[2-(heptadecanoylamino)ethyl]heptadecanamide (PubChem CID 22065407) has the molecular formula C36H72N2O2 and a molecular weight of 564.98 g/mol. Its IUPAC name is N-[2-(heptadecanoylamino)ethyl]heptadecanamide.

Molecular Properties

Compound NameN-[2-(heptadecanoylamino)ethyl]heptadecanamide
PubChem CID22065407
Molecular FormulaC36H72N2O2
Molecular Weight564.98 g/mol
Exact Mass564.56
IUPAC NameN-[2-(heptadecanoylamino)ethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)37-33-34-38-36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40)
InChIKeySZGPFAUSYCHCEX-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-[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-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of N-[2-(heptadecanoylamino)ethyl]heptadecanamide?
The IUPAC name of N-[2-(heptadecanoylamino)ethyl]heptadecanamide (CID 22065407) is N-[2-(heptadecanoylamino)ethyl]heptadecanamide.
What is the SMILES notation for N-[2-(heptadecanoylamino)ethyl]heptadecanamide?
The canonical SMILES for N-[2-(heptadecanoylamino)ethyl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(heptadecanoylamino)ethyl]heptadecanamide?
The InChIKey is SZGPFAUSYCHCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)37-33-34-38-36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of N-[2-(heptadecanoylamino)ethyl]heptadecanamide?
N-[2-(heptadecanoylamino)ethyl]heptadecanamide 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-[2-(heptadecanoylamino)ethyl]heptadecanamide is sourced from PubChem (CID 22065407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).