N-(1-bromo-2-phenylpropan-2-yl)octanamide

C17H26BrNO — CID 105059946

IUPACN-(1-bromo-2-phenylpropan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)(CBr)c1ccccc1
InChIInChI=1S/C17H26BrNO/c1-3-4-5-6-10-13-16(20)19-17(2,14-18)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,19,20)
InChIKeyVBORFUXBJSBPSB-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.77
Rot. Bonds9

About N-(1-bromo-2-phenylpropan-2-yl)octanamide

N-(1-bromo-2-phenylpropan-2-yl)octanamide (PubChem CID 105059946) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)octanamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)octanamide
PubChem CID105059946
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)octanamide
SMILESCCCCCCCC(=O)NC(C)(CBr)c1ccccc1
InChIInChI=1S/C17H26BrNO/c1-3-4-5-6-10-13-16(20)19-17(2,14-18)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,19,20)
InChIKeyVBORFUXBJSBPSB-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.77
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-(1-amino-2-phenylpropan-2-yl)heptanamide
CID 105060397
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
N-tritylpentanamide
CID 71163215
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
2,2-diphenyltridecan-7-one
CID 91284823
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-phenylpentacosanamide
CID 19025260
N-(1-bromo-2-methylbutan-2-yl)hexanamide
CID 114314353

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)octanamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)octanamide (CID 105059946) is N-(1-bromo-2-phenylpropan-2-yl)octanamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)octanamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)octanamide is CCCCCCCC(=O)NC(C)(CBr)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)octanamide?
The InChIKey is VBORFUXBJSBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-4-5-6-10-13-16(20)19-17(2,14-18)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,19,20).
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)octanamide?
N-(1-bromo-2-phenylpropan-2-yl)octanamide has a molecular weight of 340.31 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)octanamide is sourced from PubChem (CID 105059946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).