ethane;N-pentyl-6-(propanoylamino)hexanamide

C16H34N2O2 — CID 166555695

IUPACethane;N-pentyl-6-(propanoylamino)hexanamide
SMILESCC.CCCCCNC(=O)CCCCCNC(=O)CC
InChIInChI=1S/C14H28N2O2.C2H6/c1-3-5-8-11-16-14(18)10-7-6-9-12-15-13(17)4-2;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);1-2H3
InChIKeyMTJRAGGHCIIUHK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.41
Rot. Bonds11

About ethane;N-pentyl-6-(propanoylamino)hexanamide

ethane;N-pentyl-6-(propanoylamino)hexanamide (PubChem CID 166555695) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;N-pentyl-6-(propanoylamino)hexanamide.

Molecular Properties

Compound Nameethane;N-pentyl-6-(propanoylamino)hexanamide
PubChem CID166555695
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nameethane;N-pentyl-6-(propanoylamino)hexanamide
SMILESCC.CCCCCNC(=O)CCCCCNC(=O)CC
InChIInChI=1S/C14H28N2O2.C2H6/c1-3-5-8-11-16-14(18)10-7-6-9-12-15-13(17)4-2;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);1-2H3
InChIKeyMTJRAGGHCIIUHK-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.41
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

ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of ethane;N-pentyl-6-(propanoylamino)hexanamide?
The IUPAC name of ethane;N-pentyl-6-(propanoylamino)hexanamide (CID 166555695) is ethane;N-pentyl-6-(propanoylamino)hexanamide.
What is the SMILES notation for ethane;N-pentyl-6-(propanoylamino)hexanamide?
The canonical SMILES for ethane;N-pentyl-6-(propanoylamino)hexanamide is CC.CCCCCNC(=O)CCCCCNC(=O)CC.
What is the InChIKey of ethane;N-pentyl-6-(propanoylamino)hexanamide?
The InChIKey is MTJRAGGHCIIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.C2H6/c1-3-5-8-11-16-14(18)10-7-6-9-12-15-13(17)4-2;1-2/h3-12H2,1-2H3,(H,15,17)(H,16,18);1-2H3.
What are the key properties of ethane;N-pentyl-6-(propanoylamino)hexanamide?
ethane;N-pentyl-6-(propanoylamino)hexanamide has a molecular weight of 286.46 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pentyl-6-(propanoylamino)hexanamide is sourced from PubChem (CID 166555695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).