N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide

C13H24BrNO — CID 114317695

IUPACN-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
SMILESCCC(CCBr)CNC(=O)CC1CCCC1
InChIInChI=1S/C13H24BrNO/c1-2-11(7-8-14)10-15-13(16)9-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyCEEIVACLKOPDHU-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.49
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide

N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide (PubChem CID 114317695) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
PubChem CID114317695
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
SMILESCCC(CCBr)CNC(=O)CC1CCCC1
InChIInChI=1S/C13H24BrNO/c1-2-11(7-8-14)10-15-13(16)9-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyCEEIVACLKOPDHU-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.49
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-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
CID 114317766
2-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103722752
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
N-[2-(2-aminoethyl)pentyl]-2-cyclopentylacetamide
CID 106116170
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
N-(2-chlorobutyl)-2-cycloheptylacetamide
CID 114459139
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide (CID 114317695) is N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide is CCC(CCBr)CNC(=O)CC1CCCC1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide?
The InChIKey is CEEIVACLKOPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-2-11(7-8-14)10-15-13(16)9-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide?
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide has a molecular weight of 290.25 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide is sourced from PubChem (CID 114317695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).