ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate

C15H19Cl2NO4 — CID 67859607

IUPACethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(Cl)cccc1Cl)C(C)OC
InChIInChI=1S/C15H19Cl2NO4/c1-4-22-15(20)9-18(10(2)21-3)14(19)8-11-12(16)6-5-7-13(11)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyRPMNAWXSTLFVGX-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.92
Rot. Bonds7

About ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate (PubChem CID 67859607) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate
PubChem CID67859607
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)Cc1c(Cl)cccc1Cl)C(C)OC
InChIInChI=1S/C15H19Cl2NO4/c1-4-22-15(20)9-18(10(2)21-3)14(19)8-11-12(16)6-5-7-13(11)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyRPMNAWXSTLFVGX-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
methyl 2-[2-(2,6-dichlorophenyl)-N-methylacetamido]acetate
CID 43407394
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
Ethyl 2-[2-(4-chlorophenyl)acetamido]acetate
CID 1905085
methyl N-[(2-chloro-6-fluorophenyl)acetyl]glycinate
CID 1241670
ethyl 2-[3-(2,4-dichlorobenzyl)-4-hydroxy-2-oxo-1(2H)-pyridinyl]acetate
CID 54707938
Morpholine, 4-(2-(2,4-dichlorophenyl)-1-oxo-2-propenyl)-
CID 3007422
Ethyl 2-[3-(4-chlorophenyl)propanoylamino]acetate
CID 50991373
trans-rac-ethyl 2-(7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetate
CID 54582322
3-[6-(2-Chlorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145978003
4-(4-chlorophenyl)-N,N-bis(2-methoxyethyl)-2-oxobutanamide
CID 156010108
ethyl 5-[(2,6-dichlorophenyl)methyl]-1,3,4-trimethyl-6-oxo-2H-pyrimidine-2-carboxylate
CID 172434122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate (CID 67859607) is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate is CCOC(=O)CN(C(=O)Cc1c(Cl)cccc1Cl)C(C)OC.
What is the InChIKey of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate?
The InChIKey is RPMNAWXSTLFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-4-22-15(20)9-18(10(2)21-3)14(19)8-11-12(16)6-5-7-13(11)17/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate?
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate has a molecular weight of 348.23 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(1-methoxyethyl)amino]acetate is sourced from PubChem (CID 67859607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).