[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate

C21H24ClNO6 — CID 35987719

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24ClNO6/c1-13-9-16(18(27-3)11-15(13)22)23-20(24)12-29-21(25)8-6-14-5-7-17(26-2)19(10-14)28-4/h5,7,9-11H,6,8,12H2,1-4H3,(H,23,24)
InChIKeyZJQKLIPZHSQLCO-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.79
Rot. Bonds9

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 35987719) has the molecular formula C21H24ClNO6 and a molecular weight of 421.88 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID35987719
Molecular FormulaC21H24ClNO6
Molecular Weight421.88 g/mol
Exact Mass421.13
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24ClNO6/c1-13-9-16(18(27-3)11-15(13)22)23-20(24)12-29-21(25)8-6-14-5-7-17(26-2)19(10-14)28-4/h5,7,9-11H,6,8,12H2,1-4H3,(H,23,24)
InChIKeyZJQKLIPZHSQLCO-UHFFFAOYSA-N
XLogP3.79
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate with MolForge

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987746
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 8809078
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate (CID 35987719) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is ZJQKLIPZHSQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO6/c1-13-9-16(18(27-3)11-15(13)22)23-20(24)12-29-21(25)8-6-14-5-7-17(26-2)19(10-14)28-4/h5,7,9-11H,6,8,12H2,1-4H3,(H,23,24).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 421.88 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 35987719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).