N-(2-bromo-3-ethylpentyl)decanamide

C17H34BrNO — CID 106288042

IUPACN-(2-bromo-3-ethylpentyl)decanamide
SMILESCCCCCCCCCC(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C17H34BrNO/c1-4-7-8-9-10-11-12-13-17(20)19-14-16(18)15(5-2)6-3/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyBKNUCVTVPCEKJT-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.44
Rot. Bonds13

About N-(2-bromo-3-ethylpentyl)decanamide

N-(2-bromo-3-ethylpentyl)decanamide (PubChem CID 106288042) has the molecular formula C17H34BrNO and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)decanamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)decanamide
PubChem CID106288042
Molecular FormulaC17H34BrNO
Molecular Weight348.37 g/mol
Exact Mass347.18
IUPAC NameN-(2-bromo-3-ethylpentyl)decanamide
SMILESCCCCCCCCCC(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C17H34BrNO/c1-4-7-8-9-10-11-12-13-17(20)19-14-16(18)15(5-2)6-3/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyBKNUCVTVPCEKJT-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
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

N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
N-(2-aminopropyl)octadecanamide
CID 86003506
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-bromo-2-cyclopropylethyl)dodecanamide
CID 114315926
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[2-bromo-2-(diethylsulfamoyl)ethyl]decanamide
CID 134997360
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)decanamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)decanamide (CID 106288042) is N-(2-bromo-3-ethylpentyl)decanamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)decanamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)decanamide is CCCCCCCCCC(=O)NCC(Br)C(CC)CC.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)decanamide?
The InChIKey is BKNUCVTVPCEKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO/c1-4-7-8-9-10-11-12-13-17(20)19-14-16(18)15(5-2)6-3/h15-16H,4-14H2,1-3H3,(H,19,20).
What are the key properties of N-(2-bromo-3-ethylpentyl)decanamide?
N-(2-bromo-3-ethylpentyl)decanamide has a molecular weight of 348.37 g/mol, XLogP of 5.44, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)decanamide is sourced from PubChem (CID 106288042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).