N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C17H32BrNO — CID 106254606

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCCC(CC)(CBr)CNC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H32BrNO/c1-5-16(6-2,12-18)13-19-15(20)17(11-14(3)4)9-7-8-10-17/h14H,5-13H2,1-4H3,(H,19,20)
InChIKeyBTCPRDXTVDHHEU-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.91
Rot. Bonds8

About N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 106254606) has the molecular formula C17H32BrNO and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID106254606
Molecular FormulaC17H32BrNO
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCCC(CC)(CBr)CNC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H32BrNO/c1-5-16(6-2,12-18)13-19-15(20)17(11-14(3)4)9-7-8-10-17/h14H,5-13H2,1-4H3,(H,19,20)
InChIKeyBTCPRDXTVDHHEU-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.91
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-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114315007
N-(5-iodopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107322176

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 106254606) is N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CCC(CC)(CBr)CNC(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is BTCPRDXTVDHHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO/c1-5-16(6-2,12-18)13-19-15(20)17(11-14(3)4)9-7-8-10-17/h14H,5-13H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106254606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).