N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide

C12H22BrNO2 — CID 103558267

IUPACN-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCC(C)(CBr)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO2/c1-4-11(2,9-13)14-10(15)8-12(16-3)6-5-7-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyWJMQAKJVAXCREF-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.63
Rot. Bonds6

About N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide

N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103558267) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103558267
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCCC(C)(CBr)NC(=O)CC1(OC)CCC1
InChIInChI=1S/C12H22BrNO2/c1-4-11(2,9-13)14-10(15)8-12(16-3)6-5-7-12/h4-9H2,1-3H3,(H,14,15)
InChIKeyWJMQAKJVAXCREF-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.63
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

2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid
CID 103555577
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
2-(1-aminocyclobutyl)-N-(3-methylpentan-3-yl)acetamide
CID 103811399
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
CID 106328639
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558313

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide (CID 103558267) is N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide is CCC(C)(CBr)NC(=O)CC1(OC)CCC1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is WJMQAKJVAXCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-4-11(2,9-13)14-10(15)8-12(16-3)6-5-7-12/h4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 292.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103558267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).