N-[2-(octadecanoylamino)ethyl]octadecanamide

C38H76N2O2 — CID 8044

IUPACN-[2-(octadecanoylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyRKISUIUJZGSLEV-UHFFFAOYSA-N
MW593.04 g/mol
LogP11.74
Rot. Bonds35

About N-[2-(octadecanoylamino)ethyl]octadecanamide

N-[2-(octadecanoylamino)ethyl]octadecanamide (PubChem CID 8044) has the molecular formula C38H76N2O2 and a molecular weight of 593.04 g/mol. Its IUPAC name is N-[2-(octadecanoylamino)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(octadecanoylamino)ethyl]octadecanamide
PubChem CID8044
Molecular FormulaC38H76N2O2
Molecular Weight593.04 g/mol
Exact Mass592.59
IUPAC NameN-[2-(octadecanoylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyRKISUIUJZGSLEV-UHFFFAOYSA-N
XLogP11.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.04
LogP ≤ 511.74
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(octadecanoylamino)ethyl]octadecanamide?
The IUPAC name of N-[2-(octadecanoylamino)ethyl]octadecanamide (CID 8044) is N-[2-(octadecanoylamino)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(octadecanoylamino)ethyl]octadecanamide?
The canonical SMILES for N-[2-(octadecanoylamino)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[2-(octadecanoylamino)ethyl]octadecanamide?
The InChIKey is RKISUIUJZGSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of N-[2-(octadecanoylamino)ethyl]octadecanamide?
N-[2-(octadecanoylamino)ethyl]octadecanamide has a molecular weight of 593.04 g/mol, XLogP of 11.74, 35 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(octadecanoylamino)ethyl]octadecanamide is sourced from PubChem (CID 8044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).