3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide

C16H23BrN2O — CID 115272142

IUPAC3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
SMILESCNCC1(CNC(=O)CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H23BrN2O/c1-18-11-16(9-2-10-16)12-19-15(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,18H,2,5,8-12H2,1H3,(H,19,20)
InChIKeyAGSLWLTVWKCQLZ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide

3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide (PubChem CID 115272142) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
PubChem CID115272142
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
SMILESCNCC1(CNC(=O)CCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C16H23BrN2O/c1-18-11-16(9-2-10-16)12-19-15(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,18H,2,5,8-12H2,1H3,(H,19,20)
InChIKeyAGSLWLTVWKCQLZ-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(4-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545011
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
3-cyclopentyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272150
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide (CID 115272142) is 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide is CNCC1(CNC(=O)CCc2ccc(Br)cc2)CCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide?
The InChIKey is AGSLWLTVWKCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-18-11-16(9-2-10-16)12-19-15(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,18H,2,5,8-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide?
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide has a molecular weight of 339.28 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide is sourced from PubChem (CID 115272142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).