N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide

C15H26BrNO — CID 102873056

IUPACN-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C15H26BrNO/c16-10-11-17(14-8-5-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-12H2
InChIKeyLYQARGBVTRYBLM-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.12
Rot. Bonds5

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

N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide (PubChem CID 102873056) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
PubChem CID102873056
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C15H26BrNO/c16-10-11-17(14-8-5-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-12H2
InChIKeyLYQARGBVTRYBLM-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.12
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-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(azetidin-3-yl)-2-cyclohexyl-N-propylacetamide
CID 66183532

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide (CID 102873056) is N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide is O=C(CC1CCCCCC1)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide?
The InChIKey is LYQARGBVTRYBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c16-10-11-17(14-8-5-9-14)15(18)12-13-6-3-1-2-4-7-13/h13-14H,1-12H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide?
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide has a molecular weight of 316.28 g/mol, XLogP of 4.12, 5 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-cycloheptylacetamide is sourced from PubChem (CID 102873056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).