N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide

C14H24BrNO — CID 114459158

IUPACN-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CBr)CCC1
InChIInChI=1S/C14H24BrNO/c15-11-14(8-5-9-14)16-13(17)10-12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,17)
InChIKeyIUIJEYMGFIBXFS-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide

N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide (PubChem CID 114459158) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
PubChem CID114459158
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CBr)CCC1
InChIInChI=1S/C14H24BrNO/c15-11-14(8-5-9-14)16-13(17)10-12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,17)
InChIKeyIUIJEYMGFIBXFS-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
CID 114459153
N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
CID 114314002
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135565
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide
CID 114170594
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide?
The IUPAC name of N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide (CID 114459158) is N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NC1(CBr)CCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide?
The InChIKey is IUIJEYMGFIBXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-11-14(8-5-9-14)16-13(17)10-12-6-3-1-2-4-7-12/h12H,1-11H2,(H,16,17).
What are the key properties of N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide?
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide has a molecular weight of 302.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114459158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).