N-(1-bromo-3-methylbutan-2-yl)dodecanamide

C17H34BrNO — CID 114316280

IUPACN-(1-bromo-3-methylbutan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CBr)C(C)C
InChIInChI=1S/C17H34BrNO/c1-4-5-6-7-8-9-10-11-12-13-17(20)19-16(14-18)15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyKILOJFNAVPSFEV-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.44
Rot. Bonds13

About N-(1-bromo-3-methylbutan-2-yl)dodecanamide

N-(1-bromo-3-methylbutan-2-yl)dodecanamide (PubChem CID 114316280) has the molecular formula C17H34BrNO and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)dodecanamide
PubChem CID114316280
Molecular FormulaC17H34BrNO
Molecular Weight348.37 g/mol
Exact Mass347.18
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CBr)C(C)C
InChIInChI=1S/C17H34BrNO/c1-4-5-6-7-8-9-10-11-12-13-17(20)19-16(14-18)15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20)
InChIKeyKILOJFNAVPSFEV-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-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(1-chloro-3-methylbutan-2-yl)hexanamide
CID 114305402
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
N-pentan-2-ylundecanamide
CID 173258559
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
N-(1-hydroxybutyl)decanamide
CID 87762139

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)dodecanamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)dodecanamide (CID 114316280) is N-(1-bromo-3-methylbutan-2-yl)dodecanamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)dodecanamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)dodecanamide is CCCCCCCCCCCC(=O)NC(CBr)C(C)C.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)dodecanamide?
The InChIKey is KILOJFNAVPSFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO/c1-4-5-6-7-8-9-10-11-12-13-17(20)19-16(14-18)15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)dodecanamide?
N-(1-bromo-3-methylbutan-2-yl)dodecanamide 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-(1-bromo-3-methylbutan-2-yl)dodecanamide is sourced from PubChem (CID 114316280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).