2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

C86H104Cl9N5O17 — CID 162078878

IUPAC2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCC(C)(C)OC(=O)CCCOCCO.CC(C)(C)OC(=O)CCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H29Cl2NO5.C20H23Cl2NO3.C18H20Cl2N2O3.C14H11Cl2NO2.C10H20O4.ClH/c1-24(2,3)32-21(28)12-7-13-30-14-15-31-22(29)16-17-8-4-5-11-20(17)27-23-18(25)9-6-10-19(23)26;1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22;19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-10(2,3)14-9(12)5-4-7-13-8-6-11;/h4-6,8-11,27H,7,12-16H2,1-3H3;4-10,23H,2-3,11-14H2,1H3;1-7,22H,8-12,21H2;1-7,17H,8H2,(H,18,19);11H,4-8H2,1-3H3;1H
InChIKeyAPMLUQYGJXSNAT-UHFFFAOYSA-N
MW1798.87 g/mol
LogP21.30
Rot. Bonds40

About 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (PubChem CID 162078878) has the molecular formula C86H104Cl9N5O17 and a molecular weight of 1798.87 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
PubChem CID162078878
Molecular FormulaC86H104Cl9N5O17
Molecular Weight1798.87 g/mol
Exact Mass1793.46
IUPAC Name2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCC(C)(C)OC(=O)CCCOCCO.CC(C)(C)OC(=O)CCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H29Cl2NO5.C20H23Cl2NO3.C18H20Cl2N2O3.C14H11Cl2NO2.C10H20O4.ClH/c1-24(2,3)32-21(28)12-7-13-30-14-15-31-22(29)16-17-8-4-5-11-20(17)27-23-18(25)9-6-10-19(23)26;1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22;19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-10(2,3)14-9(12)5-4-7-13-8-6-11;/h4-6,8-11,27H,7,12-16H2,1-3H3;4-10,23H,2-3,11-14H2,1H3;1-7,22H,8-12,21H2;1-7,17H,8H2,(H,18,19);11H,4-8H2,1-3H3;1H
InChIKeyAPMLUQYGJXSNAT-UHFFFAOYSA-N
XLogP21.30
TPSA300.09 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds40
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001798.87
LogP ≤ 521.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (CID 162078878) is 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is CC(C)(C)OC(=O)CCCOCCO.CC(C)(C)OC(=O)CCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.Cl.NCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The InChIKey is APMLUQYGJXSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2NO5.C20H23Cl2NO3.C18H20Cl2N2O3.C14H11Cl2NO2.C10H20O4.ClH/c1-24(2,3)32-21(28)12-7-13-30-14-15-31-22(29)16-17-8-4-5-11-20(17)27-23-18(25)9-6-10-19(23)26;1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22;19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-10(2,3)14-9(12)5-4-7-13-8-6-11;/h4-6,8-11,27H,7,12-16H2,1-3H3;4-10,23H,2-3,11-14H2,1H3;1-7,22H,8-12,21H2;1-7,17H,8H2,(H,18,19);11H,4-8H2,1-3H3;1H.
What are the key properties of 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride has a molecular weight of 1798.87 g/mol, XLogP of 21.30, 40 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 162078878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).