[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

C21H25NO6 — CID 8917733

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)COc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C21H25NO6/c1-14-5-6-15(2)18(9-14)27-13-21(24)28-12-20(23)22-11-16-7-8-17(25-3)19(10-16)26-4/h5-10H,11-13H2,1-4H3,(H,22,23)
InChIKeyCGUTXGBBEMGABD-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.56
Rot. Bonds9

About [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 8917733) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID8917733
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCOc1ccc(CNC(=O)COC(=O)COc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C21H25NO6/c1-14-5-6-15(2)18(9-14)27-13-21(24)28-12-20(23)22-11-16-7-8-17(25-3)19(10-16)26-4/h5-10H,11-13H2,1-4H3,(H,22,23)
InChIKeyCGUTXGBBEMGABD-UHFFFAOYSA-N
XLogP2.56
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815174
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234856
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918280
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (CID 8917733) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is COc1ccc(CNC(=O)COC(=O)COc2cc(C)ccc2C)cc1OC.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is CGUTXGBBEMGABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-14-5-6-15(2)18(9-14)27-13-21(24)28-12-20(23)22-11-16-7-8-17(25-3)19(10-16)26-4/h5-10H,11-13H2,1-4H3,(H,22,23).
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 387.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 8917733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).