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

C19H21NO5 — CID 42082114

IUPACethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-19(22)14-9-11-15(12-10-14)20-18(21)13(2)25-17-8-6-5-7-16(17)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyRCWRRVLHNBEYIK-ZDUSSCGKSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

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

ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate (PubChem CID 42082114) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
PubChem CID42082114
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-19(22)14-9-11-15(12-10-14)20-18(21)13(2)25-17-8-6-5-7-16(17)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyRCWRRVLHNBEYIK-ZDUSSCGKSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
N-(4-anilinophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943129
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate (CID 42082114) is ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
The InChIKey is RCWRRVLHNBEYIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-19(22)14-9-11-15(12-10-14)20-18(21)13(2)25-17-8-6-5-7-16(17)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate?
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 42082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).