N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C16H30BrNO — CID 114149392

IUPACN-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(C)(C)CCBr)CCCC1
InChIInChI=1S/C16H30BrNO/c1-13(2)11-16(7-5-6-8-16)14(19)18-12-15(3,4)9-10-17/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIHSQVCVFJSLAQV-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.52
Rot. Bonds7

About N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 114149392) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID114149392
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC(C)(C)CCBr)CCCC1
InChIInChI=1S/C16H30BrNO/c1-13(2)11-16(7-5-6-8-16)14(19)18-12-15(3,4)9-10-17/h13H,5-12H2,1-4H3,(H,18,19)
InChIKeyIHSQVCVFJSLAQV-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.52
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-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106254606
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
CID 106145334
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-[3-(methylamino)propyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119430611

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 114149392) is N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCC(C)(C)CCBr)CCCC1.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is IHSQVCVFJSLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-13(2)11-16(7-5-6-8-16)14(19)18-12-15(3,4)9-10-17/h13H,5-12H2,1-4H3,(H,18,19).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114149392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).