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

C13H26BrNO — CID 106287879

IUPACN-(2-bromo-3-ethylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C13H26BrNO/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyZAVPLHXTYZBDPQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.88
Rot. Bonds9

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

N-(2-bromo-3-ethylpentyl)hexanamide (PubChem CID 106287879) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)hexanamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)hexanamide
PubChem CID106287879
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(2-bromo-3-ethylpentyl)hexanamide
SMILESCCCCCC(=O)NCC(Br)C(CC)CC
InChIInChI=1S/C13H26BrNO/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyZAVPLHXTYZBDPQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.88
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)decanamide
CID 106288042
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-methylpentyl)hexanamide
CID 173325003
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867
N-(2-amino-3-ethylpentyl)butanamide
CID 106285745

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)hexanamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)hexanamide (CID 106287879) is N-(2-bromo-3-ethylpentyl)hexanamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)hexanamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)hexanamide is CCCCCC(=O)NCC(Br)C(CC)CC.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)hexanamide?
The InChIKey is ZAVPLHXTYZBDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-7-8-9-13(16)15-10-12(14)11(5-2)6-3/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-3-ethylpentyl)hexanamide?
N-(2-bromo-3-ethylpentyl)hexanamide has a molecular weight of 292.26 g/mol, XLogP of 3.88, 9 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)hexanamide is sourced from PubChem (CID 106287879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).