ethane;N'-heptyl-N-hexylpentanediamide

C20H42N2O2 — CID 154688673

IUPACethane;N'-heptyl-N-hexylpentanediamide
SMILESCC.CCCCCCCNC(=O)CCCC(=O)NCCCCCC
InChIInChI=1S/C18H36N2O2.C2H6/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2;1-2/h3-16H2,1-2H3,(H,19,21)(H,20,22);1-2H3
InChIKeyVZIRXRGGXRUVDC-UHFFFAOYSA-N
MW342.57 g/mol
LogP4.97
Rot. Bonds15

About ethane;N'-heptyl-N-hexylpentanediamide

ethane;N'-heptyl-N-hexylpentanediamide (PubChem CID 154688673) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is ethane;N'-heptyl-N-hexylpentanediamide.

Molecular Properties

Compound Nameethane;N'-heptyl-N-hexylpentanediamide
PubChem CID154688673
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC Nameethane;N'-heptyl-N-hexylpentanediamide
SMILESCC.CCCCCCCNC(=O)CCCC(=O)NCCCCCC
InChIInChI=1S/C18H36N2O2.C2H6/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2;1-2/h3-16H2,1-2H3,(H,19,21)(H,20,22);1-2H3
InChIKeyVZIRXRGGXRUVDC-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 54.97
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'-heptyl-N-hexylpentanediamide
CID 154688669
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-tetradecylpentanamide
CID 87172595
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of ethane;N'-heptyl-N-hexylpentanediamide?
The IUPAC name of ethane;N'-heptyl-N-hexylpentanediamide (CID 154688673) is ethane;N'-heptyl-N-hexylpentanediamide.
What is the SMILES notation for ethane;N'-heptyl-N-hexylpentanediamide?
The canonical SMILES for ethane;N'-heptyl-N-hexylpentanediamide is CC.CCCCCCCNC(=O)CCCC(=O)NCCCCCC.
What is the InChIKey of ethane;N'-heptyl-N-hexylpentanediamide?
The InChIKey is VZIRXRGGXRUVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2.C2H6/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2;1-2/h3-16H2,1-2H3,(H,19,21)(H,20,22);1-2H3.
What are the key properties of ethane;N'-heptyl-N-hexylpentanediamide?
ethane;N'-heptyl-N-hexylpentanediamide has a molecular weight of 342.57 g/mol, XLogP of 4.97, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-heptyl-N-hexylpentanediamide is sourced from PubChem (CID 154688673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).