methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate

C18H19NO5 — CID 886076

IUPACmethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-16-7-5-4-6-15(16)22-2)17(20)19-14-10-8-13(9-11-14)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyNBFLUBRZMCHEQH-LBPRGKRZSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds6

About methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate

methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate (PubChem CID 886076) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
PubChem CID886076
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-16-7-5-4-6-15(16)22-2)17(20)19-14-10-8-13(9-11-14)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyNBFLUBRZMCHEQH-LBPRGKRZSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate 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

4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
2-(2-methoxyphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 15943089
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943127
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate (CID 886076) is methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The InChIKey is NBFLUBRZMCHEQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(24-16-7-5-4-6-15(16)22-2)17(20)19-14-10-8-13(9-11-14)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 886076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).