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

C19H20ClNO4 — CID 2553995

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)24-13-19(23)25-12-18(22)21-11-10-15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyRXHTYCLAYPPGKF-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.93
Rot. Bonds8

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

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 2553995) 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-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID2553995
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)24-13-19(23)25-12-18(22)21-11-10-15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyRXHTYCLAYPPGKF-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

Analyze [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608442
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9336248
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 2553995) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is RXHTYCLAYPPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-14-4-2-3-5-17(14)24-13-19(23)25-12-18(22)21-11-10-15-6-8-16(20)9-7-15/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-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-(2-methylphenoxy)acetate is sourced from PubChem (CID 2553995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).