ethane;N-(3-methylbutyl)octadecanamide

C25H53NO — CID 172601405

IUPACethane;N-(3-methylbutyl)octadecanamide
SMILESCC.CCCCCCCCCCCCCCCCCC(=O)NCCC(C)C
InChIInChI=1S/C23H47NO.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3;1-2/h22H,4-21H2,1-3H3,(H,24,25);1-2H3
InChIKeyXYHBVZNBUOTKKZ-UHFFFAOYSA-N
MW383.71 g/mol
LogP8.44
Rot. Bonds19

About ethane;N-(3-methylbutyl)octadecanamide

ethane;N-(3-methylbutyl)octadecanamide (PubChem CID 172601405) has the molecular formula C25H53NO and a molecular weight of 383.71 g/mol. Its IUPAC name is ethane;N-(3-methylbutyl)octadecanamide.

Molecular Properties

Compound Nameethane;N-(3-methylbutyl)octadecanamide
PubChem CID172601405
Molecular FormulaC25H53NO
Molecular Weight383.71 g/mol
Exact Mass383.41
IUPAC Nameethane;N-(3-methylbutyl)octadecanamide
SMILESCC.CCCCCCCCCCCCCCCCCC(=O)NCCC(C)C
InChIInChI=1S/C23H47NO.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3;1-2/h22H,4-21H2,1-3H3,(H,24,25);1-2H3
InChIKeyXYHBVZNBUOTKKZ-UHFFFAOYSA-N
XLogP8.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 58.44
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

(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-hexyl-6-methylheptanamide
CID 141197249
N-butyl-7-methyloctanamide
CID 154028337
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(3-chlorobutyl)heptanamide
CID 114753993
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-propylheptanamide
CID 145289188
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-(3-chlorobutyl)hexanamide
CID 114301760
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbutyl)octadecanamide?
The IUPAC name of ethane;N-(3-methylbutyl)octadecanamide (CID 172601405) is ethane;N-(3-methylbutyl)octadecanamide.
What is the SMILES notation for ethane;N-(3-methylbutyl)octadecanamide?
The canonical SMILES for ethane;N-(3-methylbutyl)octadecanamide is CC.CCCCCCCCCCCCCCCCCC(=O)NCCC(C)C.
What is the InChIKey of ethane;N-(3-methylbutyl)octadecanamide?
The InChIKey is XYHBVZNBUOTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-21-20-22(2)3;1-2/h22H,4-21H2,1-3H3,(H,24,25);1-2H3.
What are the key properties of ethane;N-(3-methylbutyl)octadecanamide?
ethane;N-(3-methylbutyl)octadecanamide has a molecular weight of 383.71 g/mol, XLogP of 8.44, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbutyl)octadecanamide is sourced from PubChem (CID 172601405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).