N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide

C15H26BrNO2 — CID 103166823

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC2(CBr)CCCC2)C1
InChIInChI=1S/C15H26BrNO2/c1-2-19-13-7-12(8-13)9-14(18)17-11-15(10-16)5-3-4-6-15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyCADFNNGGYDLTRI-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.26
Rot. Bonds7

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166823) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166823
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC2(CBr)CCCC2)C1
InChIInChI=1S/C15H26BrNO2/c1-2-19-13-7-12(8-13)9-14(18)17-11-15(10-16)5-3-4-6-15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyCADFNNGGYDLTRI-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.26
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

1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 103162109
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
2-(3-ethoxycyclobutyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 103164769
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107157895
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide (CID 103166823) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCC2(CBr)CCCC2)C1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is CADFNNGGYDLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c1-2-19-13-7-12(8-13)9-14(18)17-11-15(10-16)5-3-4-6-15/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 332.28 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).