[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate

C25H23Cl2NO6 — CID 2448384

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C25H23Cl2NO6/c1-15-4-8-21(31-2)20(10-15)28-24(29)14-34-25(30)16-6-9-22(23(11-16)32-3)33-13-17-5-7-18(26)12-19(17)27/h4-12H,13-14H2,1-3H3,(H,28,29)
InChIKeyFIBHLHMSICEOAM-UHFFFAOYSA-N
MW504.37 g/mol
LogP5.69
Rot. Bonds9

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 2448384) has the molecular formula C25H23Cl2NO6 and a molecular weight of 504.37 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID2448384
Molecular FormulaC25H23Cl2NO6
Molecular Weight504.37 g/mol
Exact Mass503.09
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C25H23Cl2NO6/c1-15-4-8-21(31-2)20(10-15)28-24(29)14-34-25(30)16-6-9-22(23(11-16)32-3)33-13-17-5-7-18(26)12-19(17)27/h4-12H,13-14H2,1-3H3,(H,28,29)
InChIKeyFIBHLHMSICEOAM-UHFFFAOYSA-N
XLogP5.69
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.37
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate with MolForge

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556882
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3,4-dimethoxybenzoate
CID 3324537
Lithium 2-[(2,4-dichlorobenzoyl)amino]-5-[(4-ethoxyphenyl)methoxy]benzoate
CID 44345354
[2-(Methylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2105080
[2-(2,4-Dimethoxyanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2115409
2-[(2-Methoxy-5-methylphenyl)amino]-2-oxoethyl 1,3-benzodioxole-5-carboxylate
CID 2336030
[2-(3-Acetylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337012
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2338192
[2-(4-Methylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580246
[2-(2-Methoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580303
[2-(4-Ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580339
[2-(3-Acetylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2632733

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate (CID 2448384) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is FIBHLHMSICEOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO6/c1-15-4-8-21(31-2)20(10-15)28-24(29)14-34-25(30)16-6-9-22(23(11-16)32-3)33-13-17-5-7-18(26)12-19(17)27/h4-12H,13-14H2,1-3H3,(H,28,29).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 504.37 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 2448384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).