ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate

C14H20ClNO5 — CID 103233182

IUPACethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
SMILESCCOC(=O)COCCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H20ClNO5/c1-4-21-14(17)9-20-6-5-16-11-7-10(15)12(18-2)8-13(11)19-3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyOZKWNGULGKMNEZ-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.35
Rot. Bonds9

About ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate

ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate (PubChem CID 103233182) has the molecular formula C14H20ClNO5 and a molecular weight of 317.77 g/mol. Its IUPAC name is ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
PubChem CID103233182
Molecular FormulaC14H20ClNO5
Molecular Weight317.77 g/mol
Exact Mass317.10
IUPAC Nameethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
SMILESCCOC(=O)COCCNc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C14H20ClNO5/c1-4-21-14(17)9-20-6-5-16-11-7-10(15)12(18-2)8-13(11)19-3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyOZKWNGULGKMNEZ-UHFFFAOYSA-N
XLogP2.35
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606
methyl 4-(5-chloro-2,4-dimethoxyanilino)butanoate
CID 43377856
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
5-chloro-2,4-dimethoxy-N-[2-(3-methylbutoxy)ethyl]aniline
CID 61483778
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
CID 103292979
ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
CID 103232811
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
CID 3289741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate (CID 103233182) is ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate is CCOC(=O)COCCNc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate?
The InChIKey is OZKWNGULGKMNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO5/c1-4-21-14(17)9-20-6-5-16-11-7-10(15)12(18-2)8-13(11)19-3/h7-8,16H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate?
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate has a molecular weight of 317.77 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate is sourced from PubChem (CID 103233182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).