N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide

C11H20BrNO2 — CID 103558264

IUPACN-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)CBr)CCC1
InChIInChI=1S/C11H20BrNO2/c1-9(7-12)8-13-10(14)6-11(15-2)4-3-5-11/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFVBRKOHBXUSXEH-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds6

About N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide

N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103558264) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103558264
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(C)CBr)CCC1
InChIInChI=1S/C11H20BrNO2/c1-9(7-12)8-13-10(14)6-11(15-2)4-3-5-11/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFVBRKOHBXUSXEH-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.09
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

methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558313
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
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)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 106126458

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide (CID 103558264) is N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC(C)CBr)CCC1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is FVBRKOHBXUSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-9(7-12)8-13-10(14)6-11(15-2)4-3-5-11/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide?
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103558264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).