8-bromo-N,N-didecyloctanamide;ethane

C30H62BrNO — CID 168943816

IUPAC8-bromo-N,N-didecyloctanamide;ethane
SMILESCC.CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCBr
InChIInChI=1S/C28H56BrNO.C2H6/c1-3-5-7-9-11-13-18-22-26-30(27-23-19-14-12-10-8-6-4-2)28(31)24-20-16-15-17-21-25-29;1-2/h3-27H2,1-2H3;1-2H3
InChIKeyLNTKTPZYBJPTFR-UHFFFAOYSA-N
MW532.74 g/mol
LogP10.86
Rot. Bonds25

About 8-bromo-N,N-didecyloctanamide;ethane

8-bromo-N,N-didecyloctanamide;ethane (PubChem CID 168943816) has the molecular formula C30H62BrNO and a molecular weight of 532.74 g/mol. Its IUPAC name is 8-bromo-N,N-didecyloctanamide;ethane.

Molecular Properties

Compound Name8-bromo-N,N-didecyloctanamide;ethane
PubChem CID168943816
Molecular FormulaC30H62BrNO
Molecular Weight532.74 g/mol
Exact Mass531.40
IUPAC Name8-bromo-N,N-didecyloctanamide;ethane
SMILESCC.CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCBr
InChIInChI=1S/C28H56BrNO.C2H6/c1-3-5-7-9-11-13-18-22-26-30(27-23-19-14-12-10-8-6-4-2)28(31)24-20-16-15-17-21-25-29;1-2/h3-27H2,1-2H3;1-2H3
InChIKeyLNTKTPZYBJPTFR-UHFFFAOYSA-N
XLogP10.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.74
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N,N-dioctylhexanamide
CID 533338
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N',N'-dioctylhexanediamide
CID 53437404
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
2-hexyldecyl 6-[9-bromononanoyl(hexyl)amino]hexanoate
CID 176570542

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-didecyloctanamide;ethane?
The IUPAC name of 8-bromo-N,N-didecyloctanamide;ethane (CID 168943816) is 8-bromo-N,N-didecyloctanamide;ethane.
What is the SMILES notation for 8-bromo-N,N-didecyloctanamide;ethane?
The canonical SMILES for 8-bromo-N,N-didecyloctanamide;ethane is CC.CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCBr.
What is the InChIKey of 8-bromo-N,N-didecyloctanamide;ethane?
The InChIKey is LNTKTPZYBJPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56BrNO.C2H6/c1-3-5-7-9-11-13-18-22-26-30(27-23-19-14-12-10-8-6-4-2)28(31)24-20-16-15-17-21-25-29;1-2/h3-27H2,1-2H3;1-2H3.
What are the key properties of 8-bromo-N,N-didecyloctanamide;ethane?
8-bromo-N,N-didecyloctanamide;ethane has a molecular weight of 532.74 g/mol, XLogP of 10.86, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-didecyloctanamide;ethane is sourced from PubChem (CID 168943816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).