2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide

C15H21BrN2O2 — CID 81172402

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-11(16)7-12(20-2)14(10)18-13(19)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyXIIRVCVHHZKNPD-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.22
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide (PubChem CID 81172402) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
PubChem CID81172402
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-11(16)7-12(20-2)14(10)18-13(19)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyXIIRVCVHHZKNPD-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,5-dibromobenzoic acid
CID 81172576
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63122221
1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64551670
N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422239
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
N-(4-bromo-2-methoxy-6-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81227978
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide (CID 81172402) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide is COc1cc(Br)cc(C)c1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
The InChIKey is XIIRVCVHHZKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-6-11(16)7-12(20-2)14(10)18-13(19)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide has a molecular weight of 341.25 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide is sourced from PubChem (CID 81172402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).