N-(2-bromoethyl)-N-butyloctanamide

C14H28BrNO — CID 80658698

IUPACN-(2-bromoethyl)-N-butyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)CCCC
InChIInChI=1S/C14H28BrNO/c1-3-5-7-8-9-10-14(17)16(13-11-15)12-6-4-2/h3-13H2,1-2H3
InChIKeyTYUCDZDZMSEVHF-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.37
Rot. Bonds11

About N-(2-bromoethyl)-N-butyloctanamide

N-(2-bromoethyl)-N-butyloctanamide (PubChem CID 80658698) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyloctanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyloctanamide
PubChem CID80658698
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC NameN-(2-bromoethyl)-N-butyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)CCCC
InChIInChI=1S/C14H28BrNO/c1-3-5-7-8-9-10-14(17)16(13-11-15)12-6-4-2/h3-13H2,1-2H3
InChIKeyTYUCDZDZMSEVHF-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.37
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
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
N-butyl-N-octyldecanamide
CID 18913402
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-di(undecyl)pentanamide
CID 532896
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)heptanamide
CID 107492554
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyloctanamide?
The IUPAC name of N-(2-bromoethyl)-N-butyloctanamide (CID 80658698) is N-(2-bromoethyl)-N-butyloctanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyloctanamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyloctanamide is CCCCCCCC(=O)N(CCBr)CCCC.
What is the InChIKey of N-(2-bromoethyl)-N-butyloctanamide?
The InChIKey is TYUCDZDZMSEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-3-5-7-8-9-10-14(17)16(13-11-15)12-6-4-2/h3-13H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butyloctanamide?
N-(2-bromoethyl)-N-butyloctanamide has a molecular weight of 306.29 g/mol, XLogP of 4.37, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyloctanamide is sourced from PubChem (CID 80658698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).