N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide

C17H32BrNO — CID 106169068

IUPACN-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32BrNO/c1-6-17(5,11-12-18)19-15(20)13-7-9-14(10-8-13)16(2,3)4/h13-14H,6-12H2,1-5H3,(H,19,20)
InChIKeyGPHZLCWITKSKAJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.91
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 106169068) has the molecular formula C17H32BrNO and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID106169068
Molecular FormulaC17H32BrNO
Molecular Weight346.35 g/mol
Exact Mass345.17
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H32BrNO/c1-6-17(5,11-12-18)19-15(20)13-7-9-14(10-8-13)16(2,3)4/h13-14H,6-12H2,1-5H3,(H,19,20)
InChIKeyGPHZLCWITKSKAJ-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106169618
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718713
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-bromo-3-methylpentan-3-yl)-1-ethylcyclopentane-1-carboxamide
CID 106169143
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 106169068) is N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide is CCC(C)(CCBr)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is GPHZLCWITKSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO/c1-6-17(5,11-12-18)19-15(20)13-7-9-14(10-8-13)16(2,3)4/h13-14H,6-12H2,1-5H3,(H,19,20).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 106169068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).