[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate

C21H25NO5 — CID 7959307

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C21H25NO5/c1-14(2)16-7-5-6-8-17(16)22-20(23)13-27-21(24)12-15-9-10-18(25-3)19(11-15)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyMARPSVRPKJPRGH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.55
Rot. Bonds8

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 7959307) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID7959307
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C21H25NO5/c1-14(2)16-7-5-6-8-17(16)22-20(23)13-27-21(24)12-15-9-10-18(25-3)19(11-15)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyMARPSVRPKJPRGH-UHFFFAOYSA-N
XLogP3.55
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
CID 2378757
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 2566413
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907923
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501340
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 7959307) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OC.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is MARPSVRPKJPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14(2)16-7-5-6-8-17(16)22-20(23)13-27-21(24)12-15-9-10-18(25-3)19(11-15)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 7959307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).