[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate

C19H21NO5 — CID 2629891

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-4-24-16-11-7-5-9-14(16)19(22)25-13(2)18(21)20-15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeySOQJEKKRDPYKQN-ZDUSSCGKSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate (PubChem CID 2629891) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
PubChem CID2629891
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-4-24-16-11-7-5-9-14(16)19(22)25-13(2)18(21)20-15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeySOQJEKKRDPYKQN-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

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606945
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653346
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653349
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712183
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23943940
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-ethoxybenzoate
CID 8607141
[1-(2,6-diethylanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 3425674

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate (CID 2629891) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The InChIKey is SOQJEKKRDPYKQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-16-11-7-5-9-14(16)19(22)25-13(2)18(21)20-15-10-6-8-12-17(15)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate 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 [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate is sourced from PubChem (CID 2629891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).