[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C21H25NO6 — CID 4963831

IUPAC[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-25-17-7-5-4-6-16(17)9-11-21(24)28-14-20(23)22-13-15-8-10-18(26-2)19(12-15)27-3/h4-8,10,12H,9,11,13-14H2,1-3H3,(H,22,23)
InChIKeyJNABOVXIBGLJHE-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.50
Rot. Bonds10

About [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 4963831) 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] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID4963831
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-25-17-7-5-4-6-16(17)9-11-21(24)28-14-20(23)22-13-15-8-10-18(26-2)19(12-15)27-3/h4-8,10,12H,9,11,13-14H2,1-3H3,(H,22,23)
InChIKeyJNABOVXIBGLJHE-UHFFFAOYSA-N
XLogP2.50
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

NE 21610
CID 6441194
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 67318
2-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide
CID 1909740
Syncarpamide
CID 11753871
PhAR
CID 57340639
N-benzyl-2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamide
CID 1505944
2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983
2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
CID 2188594
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2362163
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 4963831) is [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is JNABOVXIBGLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-25-17-7-5-4-6-16(17)9-11-21(24)28-14-20(23)22-13-15-8-10-18(26-2)19(12-15)27-3/h4-8,10,12H,9,11,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 387.43 g/mol, XLogP of 2.50, 10 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] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 4963831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).