ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate

C15H18Cl3NO5 — CID 55725983

IUPACethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO5/c1-3-23-15(21)8-19(4-5-22-2)14(20)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,3-5,8-9H2,1-2H3
InChIKeyLNBFOEQBOURFKR-UHFFFAOYSA-N
MW398.67 g/mol
LogP3.06
Rot. Bonds9

About ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate

ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate (PubChem CID 55725983) has the molecular formula C15H18Cl3NO5 and a molecular weight of 398.67 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
PubChem CID55725983
Molecular FormulaC15H18Cl3NO5
Molecular Weight398.67 g/mol
Exact Mass397.03
IUPAC Nameethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl3NO5/c1-3-23-15(21)8-19(4-5-22-2)14(20)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,3-5,8-9H2,1-2H3
InChIKeyLNBFOEQBOURFKR-UHFFFAOYSA-N
XLogP3.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 55315903
ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61022121
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 60652730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate (CID 55725983) is ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate is CCOC(=O)CN(CCOC)C(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate?
The InChIKey is LNBFOEQBOURFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3NO5/c1-3-23-15(21)8-19(4-5-22-2)14(20)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate has a molecular weight of 398.67 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 55725983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).