N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide

C12H17ClN2O2 — CID 78908353

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3,(H,15,16)
InChIKeyWPGYBCSVJFGFNQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.19
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 78908353) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID78908353
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3,(H,15,16)
InChIKeyWPGYBCSVJFGFNQ-UHFFFAOYSA-N
XLogP1.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119821890
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
2-(2-methoxyethylamino)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780942
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide (CID 78908353) is N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is WPGYBCSVJFGFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-7-6-14-9-12(16)15-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 78908353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).