N-(2-bromo-2-cyclopropylethyl)dodecanamide

C17H32BrNO — CID 114315926

IUPACN-(2-bromo-2-cyclopropylethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(Br)C1CC1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-14-16(18)15-12-13-15/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyYGECTWKYPUMRMI-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.20
Rot. Bonds13

About N-(2-bromo-2-cyclopropylethyl)dodecanamide

N-(2-bromo-2-cyclopropylethyl)dodecanamide (PubChem CID 114315926) has the molecular formula C17H32BrNO and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)dodecanamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)dodecanamide
PubChem CID114315926
Molecular FormulaC17H32BrNO
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC NameN-(2-bromo-2-cyclopropylethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(Br)C1CC1
InChIInChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-14-16(18)15-12-13-15/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyYGECTWKYPUMRMI-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
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-(2-cyclopropyl-2-hydroxyethyl)nonanamide
CID 63294974
N-(2-chloro-2-cyclopropylethyl)decanamide
CID 113273435
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-aminopropyl)octadecanamide
CID 86003506
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
CID 65450102
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)dodecanamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)dodecanamide (CID 114315926) is N-(2-bromo-2-cyclopropylethyl)dodecanamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)dodecanamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)dodecanamide?
The InChIKey is YGECTWKYPUMRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-14-16(18)15-12-13-15/h15-16H,2-14H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)dodecanamide?
N-(2-bromo-2-cyclopropylethyl)dodecanamide has a molecular weight of 346.35 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-(2-bromo-2-cyclopropylethyl)dodecanamide is sourced from PubChem (CID 114315926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).