[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate

C20H21NO6 — CID 2503946

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H21NO6/c1-12(22)14-5-7-15(8-6-14)21-19(23)13(2)27-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyMJQXYEJFZJDQIP-ZDUSSCGKSA-N
MW371.39 g/mol
LogP3.09
Rot. Bonds7

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate (PubChem CID 2503946) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
PubChem CID2503946
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1
InChIInChI=1S/C20H21NO6/c1-12(22)14-5-7-15(8-6-14)21-19(23)13(2)27-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeyMJQXYEJFZJDQIP-ZDUSSCGKSA-N
XLogP3.09
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate 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

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561093
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887625
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 46619956
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442333
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 17444915
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7490933
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 46619952
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 2500963
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8629680
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2099281

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate (CID 2503946) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
The InChIKey is MJQXYEJFZJDQIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21NO6/c1-12(22)14-5-7-15(8-6-14)21-19(23)13(2)27-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate has a molecular weight of 371.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2503946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).