N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide

C14H26BrNO — CID 102873018

IUPACN-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N(CCBr)C1CCC1
InChIInChI=1S/C14H26BrNO/c1-3-5-7-12(4-2)14(17)16(11-10-15)13-8-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyZFERWBYXWJOKKZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.98
Rot. Bonds8

About N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide

N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide (PubChem CID 102873018) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
PubChem CID102873018
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)N(CCBr)C1CCC1
InChIInChI=1S/C14H26BrNO/c1-3-5-7-12(4-2)14(17)16(11-10-15)13-8-6-9-13/h12-13H,3-11H2,1-2H3
InChIKeyZFERWBYXWJOKKZ-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-2-ethyl-N-(3-hydroxypropyl)hexanamide
CID 102866331
N,2-diethyl-N-piperidin-3-ylhexanamide
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N,2-diethyl-N-piperidin-4-ylhexanamide
CID 54923588
N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
CID 102872769
2-ethyl-N,N-dimethylhexanamide
CID 3019000
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-aminoethyl)-N-cyclobutyl-2-propylpentanamide
CID 102874048
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102861278
N-(3-aminopropyl)-N-cycloheptyl-2-propylpentanamide
CID 82984278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide (CID 102873018) is N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide is CCCCC(CC)C(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide?
The InChIKey is ZFERWBYXWJOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-3-5-7-12(4-2)14(17)16(11-10-15)13-8-6-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide?
N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide has a molecular weight of 304.27 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-2-ethylhexanamide is sourced from PubChem (CID 102873018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).