N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

C16H30BrNO — CID 114316175

IUPACN-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)C(CBr)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30BrNO/c1-11(2)14(10-17)18-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19)
InChIKeyAPQNQUQUHSOYRW-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.37
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 114316175) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID114316175
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)C(CBr)NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30BrNO/c1-11(2)14(10-17)18-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19)
InChIKeyAPQNQUQUHSOYRW-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.37
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-methylbutan-2-yl)thiolane-3-carboxamide
CID 114316118
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
ethane;ethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-oxobutanoate
CID 142190592
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184210
N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
CID 106355279
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 114316175) is N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is CC(C)C(CBr)NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is APQNQUQUHSOYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-11(2)14(10-17)18-15(19)12-6-8-13(9-7-12)16(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,19).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 114316175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).