methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate

C19H21NO5 — CID 8639971

IUPACmethyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-16-10-8-15(9-11-16)20-18(21)13(2)25-17-7-5-6-14(12-17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyUILYBRODHUOVHR-CYBMUJFWSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

About methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate

methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 8639971) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID8639971
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-16-10-8-15(9-11-16)20-18(21)13(2)25-17-7-5-6-14(12-17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyUILYBRODHUOVHR-CYBMUJFWSA-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 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294
methyl 3-[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl]oxybenzoate
CID 8639929
methyl 3-ethoxybenzoate
CID 3267781
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 7709476
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
(2R,3R)-4-(4-ethoxyanilino)-2,3-bis[(3-methoxybenzoyl)oxy]-4-oxobutanoic acid
CID 126380567

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate (CID 8639971) is methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate is CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is UILYBRODHUOVHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-16-10-8-15(9-11-16)20-18(21)13(2)25-17-7-5-6-14(12-17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate?
methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate 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 methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 8639971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).