ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate

C14H17Cl2NO4 — CID 61022121

IUPACethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO4/c1-3-17(8-14(19)20-4-2)13(18)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyKWAQLWVUTFFUSX-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.78
Rot. Bonds7

About ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate

ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate (PubChem CID 61022121) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
PubChem CID61022121
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Nameethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO4/c1-3-17(8-14(19)20-4-2)13(18)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3
InChIKeyKWAQLWVUTFFUSX-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
ethyl 2-[ethyl-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]acetate
CID 170570488
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 25314167
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate (CID 61022121) is ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate?
The InChIKey is KWAQLWVUTFFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-3-17(8-14(19)20-4-2)13(18)9-21-10-5-6-11(15)12(16)7-10/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate?
ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate has a molecular weight of 334.20 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate is sourced from PubChem (CID 61022121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).