N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide

C17H24BrNO2 — CID 114317193

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2CCCC2CBr)c1
InChIInChI=1S/C17H24BrNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-15-6-3-5-14(15)11-18/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyMIAOKGOFFBFSIS-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.69
Rot. Bonds7

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 114317193) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
PubChem CID114317193
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2CCCC2CBr)c1
InChIInChI=1S/C17H24BrNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-15-6-3-5-14(15)11-18/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyMIAOKGOFFBFSIS-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.69
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-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
1-[2-(bromomethyl)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678341
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide (CID 114317193) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC2CCCC2CBr)c1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is MIAOKGOFFBFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-15-6-3-5-14(15)11-18/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 354.29 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 114317193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).