[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate

C19H21NO5 — CID 2505113

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-13(14-7-5-4-6-8-14)20-18(21)12-25-19(22)16-10-9-15(23-2)11-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyXYMRESBXIFUOMZ-CYBMUJFWSA-N
MW343.38 g/mol
LogP2.74
Rot. Bonds7

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate (PubChem CID 2505113) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
PubChem CID2505113
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-13(14-7-5-4-6-8-14)20-18(21)12-25-19(22)16-10-9-15(23-2)11-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyXYMRESBXIFUOMZ-CYBMUJFWSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate with MolForge

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Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203537
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203564
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 55324979
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4-dimethoxybenzoate
CID 2505093
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7767019
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2-methylbenzoate
CID 9202550

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate (CID 2505113) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate?
The InChIKey is XYMRESBXIFUOMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13(14-7-5-4-6-8-14)20-18(21)12-25-19(22)16-10-9-15(23-2)11-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2505113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).