N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide

C50H98N4O4 — CID 21118409

IUPACN,N'-bis[2-(octadecanoylamino)ethyl]decanediamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H98N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-47(55)51-43-45-53-49(57)41-37-33-29-30-34-38-42-50(58)54-46-44-52-48(56)40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)
InChIKeyGBGSTYJNNIUWOQ-UHFFFAOYSA-N
MW819.36 g/mol
LogP13.10
Rot. Bonds47

About N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide

N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide (PubChem CID 21118409) has the molecular formula C50H98N4O4 and a molecular weight of 819.36 g/mol. Its IUPAC name is N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(octadecanoylamino)ethyl]decanediamide
PubChem CID21118409
Molecular FormulaC50H98N4O4
Molecular Weight819.36 g/mol
Exact Mass818.76
IUPAC NameN,N'-bis[2-(octadecanoylamino)ethyl]decanediamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H98N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-47(55)51-43-45-53-49(57)41-37-33-29-30-34-38-42-50(58)54-46-44-52-48(56)40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)
InChIKeyGBGSTYJNNIUWOQ-UHFFFAOYSA-N
XLogP13.10
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds47
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.36
LogP ≤ 513.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-bis[2-(octadecanoylamino)ethyl]decanediamide?
The IUPAC name of N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide (CID 21118409) is N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide.
What is the SMILES notation for N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide?
The canonical SMILES for N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide is CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide?
The InChIKey is GBGSTYJNNIUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H98N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-47(55)51-43-45-53-49(57)41-37-33-29-30-34-38-42-50(58)54-46-44-52-48(56)40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58).
What are the key properties of N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide?
N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide has a molecular weight of 819.36 g/mol, XLogP of 13.10, 47 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(octadecanoylamino)ethyl]decanediamide is sourced from PubChem (CID 21118409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).