N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide

C16H30BrNO — CID 106356110

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
SMILESCC(C)(C)C(CCBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C16H30BrNO/c1-16(2,3)14(10-11-17)18-15(19)12-13-8-6-4-5-7-9-13/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyATZJHBLZABRVGX-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.66
Rot. Bonds5

About N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide (PubChem CID 106356110) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
PubChem CID106356110
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
SMILESCC(C)(C)C(CCBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C16H30BrNO/c1-16(2,3)14(10-11-17)18-15(19)12-13-8-6-4-5-7-9-13/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyATZJHBLZABRVGX-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.66
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-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
2-cyclohexyl-N-(2,2-dimethyl-4-oxohexan-3-yl)acetamide;ethane
CID 145466352
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
2-[(2-cycloheptylacetyl)amino]-N,3,3-trimethylbutanamide
CID 145466463
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 106356146
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide (CID 106356110) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide is CC(C)(C)C(CCBr)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide?
The InChIKey is ATZJHBLZABRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-16(2,3)14(10-11-17)18-15(19)12-13-8-6-4-5-7-9-13/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide has a molecular weight of 332.33 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 106356110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).