2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide

C18H21ClN2O3 — CID 71944034

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NOCc1ccccc1
InChIInChI=1S/C18H21ClN2O3/c1-21(11-12-23-17-9-7-16(19)8-10-17)13-18(22)20-24-14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyLGSJMODYMJNYEK-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.90
Rot. Bonds9

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide (PubChem CID 71944034) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
PubChem CID71944034
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)NOCc1ccccc1
InChIInChI=1S/C18H21ClN2O3/c1-21(11-12-23-17-9-7-16(19)8-10-17)13-18(22)20-24-14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyLGSJMODYMJNYEK-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4841837
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide (CID 71944034) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)NOCc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide?
The InChIKey is LGSJMODYMJNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(11-12-23-17-9-7-16(19)8-10-17)13-18(22)20-24-14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide has a molecular weight of 348.83 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide is sourced from PubChem (CID 71944034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).