methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate

C20H23NO6 — CID 2168029

IUPACmethyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C20H23NO6/c1-12-7-6-8-14(9-12)27-13(2)19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyOBPKLMMSWGASOH-ZDUSSCGKSA-N
MW373.41 g/mol
LogP3.20
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate (PubChem CID 2168029) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
PubChem CID2168029
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C20H23NO6/c1-12-7-6-8-14(9-12)27-13(2)19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyOBPKLMMSWGASOH-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 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 26076182
methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 8867148
methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
CID 18084077
methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 132763636
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
methyl 3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 8537163
methyl 4,5-dimethoxy-2-[4-(3-methylphenoxy)butanoylamino]benzoate
CID 8801684
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate (CID 2168029) is methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1cccc(C)c1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The InChIKey is OBPKLMMSWGASOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO6/c1-12-7-6-8-14(9-12)27-13(2)19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-11,13H,1-5H3,(H,21,22)/t13-/m0/s1.
What are the key properties of methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate 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 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 2168029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).