[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate

C19H20ClNO4 — CID 8910326

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO4/c1-14-3-2-4-17(11-14)24-13-19(23)25-12-18(22)21-10-9-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyOBRGNHYAETVQMZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.93
Rot. Bonds8

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate (PubChem CID 8910326) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
PubChem CID8910326
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO4/c1-14-3-2-4-17(11-14)24-13-19(23)25-12-18(22)21-10-9-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyOBRGNHYAETVQMZ-UHFFFAOYSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate (CID 8910326) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is OBRGNHYAETVQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-14-3-2-4-17(11-14)24-13-19(23)25-12-18(22)21-10-9-15-5-7-16(20)8-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 8910326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).