methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate

C20H23NO6 — CID 8729011

IUPACmethyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-12-6-8-16(24-3)15(10-12)21-19(22)13(2)27-17-9-7-14(20(23)26-5)11-18(17)25-4/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyNZAKBZKLOGWVHF-ZDUSSCGKSA-N
MW373.41 g/mol
LogP3.20
Rot. Bonds7

About methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate

methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 8729011) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID8729011
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-12-6-8-16(24-3)15(10-12)21-19(22)13(2)27-17-9-7-14(20(23)26-5)11-18(17)25-4/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyNZAKBZKLOGWVHF-ZDUSSCGKSA-N
XLogP3.20
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate with MolForge

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Related Compounds

methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 46630134
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 40812049
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418016
methyl 4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003263
methyl 3-methoxy-4-(1-nitroso-1-oxopropan-2-yl)oxybenzoate
CID 89049425
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate (CID 8729011) is methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is NZAKBZKLOGWVHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO6/c1-12-6-8-16(24-3)15(10-12)21-19(22)13(2)27-17-9-7-14(20(23)26-5)11-18(17)25-4/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1.
What are the key properties of methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate?
methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 373.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 8729011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).