methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate

C19H21NO4 — CID 26076182

IUPACmethyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1C
InChIInChI=1S/C19H21NO4/c1-12-7-5-8-15(11-12)24-14(3)18(21)20-17-10-6-9-16(13(17)2)19(22)23-4/h5-11,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyAKXCGDQVOHACFC-CQSZACIVSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds5

About methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate

methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate (PubChem CID 26076182) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
PubChem CID26076182
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1C
InChIInChI=1S/C19H21NO4/c1-12-7-5-8-15(11-12)24-14(3)18(21)20-17-10-6-9-16(13(17)2)19(22)23-4/h5-11,14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyAKXCGDQVOHACFC-CQSZACIVSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 8867148
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
methyl 3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 8537163
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate (CID 26076182) is methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1C.
What is the InChIKey of methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The InChIKey is AKXCGDQVOHACFC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-7-5-8-15(11-12)24-14(3)18(21)20-17-10-6-9-16(13(17)2)19(22)23-4/h5-11,14H,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 26076182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).