N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide

C14H26BrNO2 — CID 106145015

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)(C)CCCBr)CCC1
InChIInChI=1S/C14H26BrNO2/c1-13(2,6-5-9-15)11-16-12(17)10-14(18-3)7-4-8-14/h4-11H2,1-3H3,(H,16,17)
InChIKeyAQLYSJBQDPDGJG-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.26
Rot. Bonds8

About N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide

N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 106145015) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID106145015
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)(C)CCCBr)CCC1
InChIInChI=1S/C14H26BrNO2/c1-13(2,6-5-9-15)11-16-12(17)10-14(18-3)7-4-8-14/h4-11H2,1-3H3,(H,16,17)
InChIKeyAQLYSJBQDPDGJG-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
CID 106145334
N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558267
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid
CID 103555577
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107322368
N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 107233900
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide (CID 106145015) is N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC(C)(C)CCCBr)CCC1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is AQLYSJBQDPDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-13(2,6-5-9-15)11-16-12(17)10-14(18-3)7-4-8-14/h4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide?
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 320.27 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 106145015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).