N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide

C16H22ClNO2 — CID 103166726

IUPACN-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2cccc(CCl)c2)C1
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-7-14(8-15)9-16(19)18-11-13-5-3-4-12(6-13)10-17/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyGPIKPAGIOIHNEE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.25
Rot. Bonds7

About N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide

N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103166726) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103166726
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2cccc(CCl)c2)C1
InChIInChI=1S/C16H22ClNO2/c1-2-20-15-7-14(8-15)9-16(19)18-11-13-5-3-4-12(6-13)10-17/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyGPIKPAGIOIHNEE-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.25
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-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
CID 126795442
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
N-[[3-(chloromethyl)phenyl]methyl]-2-methylsulfonylacetamide
CID 114302321
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 103164811
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
N-[[3-(chloromethyl)phenyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 114302411

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide (CID 103166726) is N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCc2cccc(CCl)c2)C1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is GPIKPAGIOIHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-20-15-7-14(8-15)9-16(19)18-11-13-5-3-4-12(6-13)10-17/h3-6,14-15H,2,7-11H2,1H3,(H,18,19).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103166726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).