ethane;N-heptylhexadecanamide

C25H53NO — CID 142440540

IUPACethane;N-heptylhexadecanamide
SMILESCC.CCCCCCCCCCCCCCCC(=O)NCCCCCCC
InChIInChI=1S/C23H47NO.C2H6/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(25)24-22-20-18-8-6-4-2;1-2/h3-22H2,1-2H3,(H,24,25);1-2H3
InChIKeyPMGUTMXMGQEHDF-UHFFFAOYSA-N
MW383.71 g/mol
LogP8.58
Rot. Bonds20

About ethane;N-heptylhexadecanamide

ethane;N-heptylhexadecanamide (PubChem CID 142440540) has the molecular formula C25H53NO and a molecular weight of 383.71 g/mol. Its IUPAC name is ethane;N-heptylhexadecanamide.

Molecular Properties

Compound Nameethane;N-heptylhexadecanamide
PubChem CID142440540
Molecular FormulaC25H53NO
Molecular Weight383.71 g/mol
Exact Mass383.41
IUPAC Nameethane;N-heptylhexadecanamide
SMILESCC.CCCCCCCCCCCCCCCC(=O)NCCCCCCC
InChIInChI=1S/C23H47NO.C2H6/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(25)24-22-20-18-8-6-4-2;1-2/h3-22H2,1-2H3,(H,24,25);1-2H3
InChIKeyPMGUTMXMGQEHDF-UHFFFAOYSA-N
XLogP8.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-octylhexanamide
CID 177149935
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
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-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of ethane;N-heptylhexadecanamide?
The IUPAC name of ethane;N-heptylhexadecanamide (CID 142440540) is ethane;N-heptylhexadecanamide.
What is the SMILES notation for ethane;N-heptylhexadecanamide?
The canonical SMILES for ethane;N-heptylhexadecanamide is CC.CCCCCCCCCCCCCCCC(=O)NCCCCCCC.
What is the InChIKey of ethane;N-heptylhexadecanamide?
The InChIKey is PMGUTMXMGQEHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO.C2H6/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23(25)24-22-20-18-8-6-4-2;1-2/h3-22H2,1-2H3,(H,24,25);1-2H3.
What are the key properties of ethane;N-heptylhexadecanamide?
ethane;N-heptylhexadecanamide has a molecular weight of 383.71 g/mol, XLogP of 8.58, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-heptylhexadecanamide is sourced from PubChem (CID 142440540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).