N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide

C14H24BrNO — CID 102873270

IUPACN-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C14H24BrNO/c15-10-11-16(13-6-3-7-13)14(17)9-8-12-4-1-2-5-12/h12-13H,1-11H2
InChIKeyYDOSQGNHLHFKQL-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.73
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide

N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide (PubChem CID 102873270) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
PubChem CID102873270
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C14H24BrNO/c15-10-11-16(13-6-3-7-13)14(17)9-8-12-4-1-2-5-12/h12-13H,1-11H2
InChIKeyYDOSQGNHLHFKQL-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.73
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-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide (CID 102873270) is N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide is O=C(CCC1CCCC1)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide?
The InChIKey is YDOSQGNHLHFKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-10-11-16(13-6-3-7-13)14(17)9-8-12-4-1-2-5-12/h12-13H,1-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide?
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide has a molecular weight of 302.26 g/mol, XLogP of 3.73, 6 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-3-cyclopentylpropanamide is sourced from PubChem (CID 102873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).