methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate

C20H23NO5 — CID 26563881

IUPACmethyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1O[C@H](C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H23NO5/c1-13-5-7-15(8-6-13)12-21-19(22)14(2)26-18-11-16(24-3)9-10-17(18)20(23)25-4/h5-11,14H,12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyZJBZCAAFWMROHJ-CQSZACIVSA-N
MW357.41 g/mol
LogP2.87
Rot. Bonds7

About methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate

methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate (PubChem CID 26563881) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
PubChem CID26563881
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1O[C@H](C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H23NO5/c1-13-5-7-15(8-6-13)12-21-19(22)14(2)26-18-11-16(24-3)9-10-17(18)20(23)25-4/h5-11,14H,12H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyZJBZCAAFWMROHJ-CQSZACIVSA-N
XLogP2.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate 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

2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
CID 55770623
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 51245605
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate (CID 26563881) is methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(OC)cc1O[C@H](C)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is ZJBZCAAFWMROHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13-5-7-15(8-6-13)12-21-19(22)14(2)26-18-11-16(24-3)9-10-17(18)20(23)25-4/h5-11,14H,12H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate?
methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 26563881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).