N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide

C15H28BrNO2 — CID 114145799

IUPACN-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCCC(CCBr)CNC(=O)CC1CC(OCC)C1
InChIInChI=1S/C15H28BrNO2/c1-3-5-12(6-7-16)11-17-15(18)10-13-8-14(9-13)19-4-2/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyYPWODZWAOQPEAI-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide

N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 114145799) has the molecular formula C15H28BrNO2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID114145799
Molecular FormulaC15H28BrNO2
Molecular Weight334.30 g/mol
Exact Mass333.13
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCCC(CCBr)CNC(=O)CC1CC(OCC)C1
InChIInChI=1S/C15H28BrNO2/c1-3-5-12(6-7-16)11-17-15(18)10-13-8-14(9-13)19-4-2/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyYPWODZWAOQPEAI-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.51
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

2-(3-ethoxycyclobutyl)-N-(2-hydroxypentyl)acetamide
CID 103164764
N-(2-bromo-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107157895
2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576
N-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
CID 106117955
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
2-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103722752
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide (CID 114145799) is N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide is CCCC(CCBr)CNC(=O)CC1CC(OCC)C1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is YPWODZWAOQPEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO2/c1-3-5-12(6-7-16)11-17-15(18)10-13-8-14(9-13)19-4-2/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 334.30 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 114145799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).