N-(2-bromoethyl)-N-cyclobutyloctanamide

C14H26BrNO — CID 102873095

IUPACN-(2-bromoethyl)-N-cyclobutyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)C1CCC1
InChIInChI=1S/C14H26BrNO/c1-2-3-4-5-6-10-14(17)16(12-11-15)13-8-7-9-13/h13H,2-12H2,1H3
InChIKeyOASRUGYJYZQELR-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.12
Rot. Bonds9

About N-(2-bromoethyl)-N-cyclobutyloctanamide

N-(2-bromoethyl)-N-cyclobutyloctanamide (PubChem CID 102873095) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyloctanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyloctanamide
PubChem CID102873095
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(2-bromoethyl)-N-cyclobutyloctanamide
SMILESCCCCCCCC(=O)N(CCBr)C1CCC1
InChIInChI=1S/C14H26BrNO/c1-2-3-4-5-6-10-14(17)16(12-11-15)13-8-7-9-13/h13H,2-12H2,1H3
InChIKeyOASRUGYJYZQELR-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
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-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyloctanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyloctanamide (CID 102873095) is N-(2-bromoethyl)-N-cyclobutyloctanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyloctanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyloctanamide is CCCCCCCC(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyloctanamide?
The InChIKey is OASRUGYJYZQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-2-3-4-5-6-10-14(17)16(12-11-15)13-8-7-9-13/h13H,2-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyloctanamide?
N-(2-bromoethyl)-N-cyclobutyloctanamide has a molecular weight of 304.27 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyloctanamide is sourced from PubChem (CID 102873095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).