N-(1-bromopentan-3-yl)-2-cycloheptylacetamide

C14H26BrNO — CID 114459144

IUPACN-(1-bromopentan-3-yl)-2-cycloheptylacetamide
SMILESCCC(CCBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26BrNO/c1-2-13(9-10-15)16-14(17)11-12-7-5-3-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyJMGCGOLLNDEQAF-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.03
Rot. Bonds6

About N-(1-bromopentan-3-yl)-2-cycloheptylacetamide

N-(1-bromopentan-3-yl)-2-cycloheptylacetamide (PubChem CID 114459144) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-bromopentan-3-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(1-bromopentan-3-yl)-2-cycloheptylacetamide
PubChem CID114459144
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(1-bromopentan-3-yl)-2-cycloheptylacetamide
SMILESCCC(CCBr)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H26BrNO/c1-2-13(9-10-15)16-14(17)11-12-7-5-3-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyJMGCGOLLNDEQAF-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.03
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-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358
2-cyclohexyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799313
N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
CID 106184619
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopentan-3-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(1-bromopentan-3-yl)-2-cycloheptylacetamide (CID 114459144) is N-(1-bromopentan-3-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(1-bromopentan-3-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(1-bromopentan-3-yl)-2-cycloheptylacetamide is CCC(CCBr)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(1-bromopentan-3-yl)-2-cycloheptylacetamide?
The InChIKey is JMGCGOLLNDEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-2-13(9-10-15)16-14(17)11-12-7-5-3-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1-bromopentan-3-yl)-2-cycloheptylacetamide?
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide has a molecular weight of 304.27 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopentan-3-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 114459144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).