N-[6-(hexanoylamino)hexyl]hexanamide

C18H36N2O2 — CID 5045757

IUPACN-[6-(hexanoylamino)hexyl]hexanamide
SMILESCCCCCC(=O)NCCCCCCNC(=O)CCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-9-13-17(21)19-15-11-7-8-12-16-20-18(22)14-10-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFEEWLVLWKFQOFB-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.94
Rot. Bonds15

About N-[6-(hexanoylamino)hexyl]hexanamide

N-[6-(hexanoylamino)hexyl]hexanamide (PubChem CID 5045757) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-[6-(hexanoylamino)hexyl]hexanamide.

Molecular Properties

Compound NameN-[6-(hexanoylamino)hexyl]hexanamide
PubChem CID5045757
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-[6-(hexanoylamino)hexyl]hexanamide
SMILESCCCCCC(=O)NCCCCCCNC(=O)CCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-9-13-17(21)19-15-11-7-8-12-16-20-18(22)14-10-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFEEWLVLWKFQOFB-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.94
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-[6-(hexanoylamino)hexyl]hexanamide?
The IUPAC name of N-[6-(hexanoylamino)hexyl]hexanamide (CID 5045757) is N-[6-(hexanoylamino)hexyl]hexanamide.
What is the SMILES notation for N-[6-(hexanoylamino)hexyl]hexanamide?
The canonical SMILES for N-[6-(hexanoylamino)hexyl]hexanamide is CCCCCC(=O)NCCCCCCNC(=O)CCCCC.
What is the InChIKey of N-[6-(hexanoylamino)hexyl]hexanamide?
The InChIKey is FEEWLVLWKFQOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-5-9-13-17(21)19-15-11-7-8-12-16-20-18(22)14-10-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(hexanoylamino)hexyl]hexanamide?
N-[6-(hexanoylamino)hexyl]hexanamide has a molecular weight of 312.50 g/mol, XLogP of 3.94, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hexanoylamino)hexyl]hexanamide is sourced from PubChem (CID 5045757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).