N-(4-bromododecyl)butanamide

C16H32BrNO — CID 174708540

IUPACN-(4-bromododecyl)butanamide
SMILESCCCCCCCCC(Br)CCCNC(=O)CCC
InChIInChI=1S/C16H32BrNO/c1-3-5-6-7-8-9-12-15(17)13-10-14-18-16(19)11-4-2/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeySVSLFPNKJPTQHY-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.20
Rot. Bonds13

About N-(4-bromododecyl)butanamide

N-(4-bromododecyl)butanamide (PubChem CID 174708540) has the molecular formula C16H32BrNO and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(4-bromododecyl)butanamide.

Molecular Properties

Compound NameN-(4-bromododecyl)butanamide
PubChem CID174708540
Molecular FormulaC16H32BrNO
Molecular Weight334.34 g/mol
Exact Mass333.17
IUPAC NameN-(4-bromododecyl)butanamide
SMILESCCCCCCCCC(Br)CCCNC(=O)CCC
InChIInChI=1S/C16H32BrNO/c1-3-5-6-7-8-9-12-15(17)13-10-14-18-16(19)11-4-2/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeySVSLFPNKJPTQHY-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.20
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-(4-bromopentyl)heptanamide
CID 106131403
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-hexyl-6-methylheptanamide
CID 141197249
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-pentylicosanamide
CID 139961886
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669

Frequently Asked Questions

What is the IUPAC name of N-(4-bromododecyl)butanamide?
The IUPAC name of N-(4-bromododecyl)butanamide (CID 174708540) is N-(4-bromododecyl)butanamide.
What is the SMILES notation for N-(4-bromododecyl)butanamide?
The canonical SMILES for N-(4-bromododecyl)butanamide is CCCCCCCCC(Br)CCCNC(=O)CCC.
What is the InChIKey of N-(4-bromododecyl)butanamide?
The InChIKey is SVSLFPNKJPTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrNO/c1-3-5-6-7-8-9-12-15(17)13-10-14-18-16(19)11-4-2/h15H,3-14H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromododecyl)butanamide?
N-(4-bromododecyl)butanamide has a molecular weight of 334.34 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromododecyl)butanamide is sourced from PubChem (CID 174708540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).