ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate

C19H21NO5 — CID 731943

IUPACethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-19(22)13(2)25-15-11-9-14(10-12-15)18(21)20-16-7-5-6-8-17(16)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMCWGSCAKJGEKDT-CYBMUJFWSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

About ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate

ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 731943) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
PubChem CID731943
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-19(22)13(2)25-15-11-9-14(10-12-15)18(21)20-16-7-5-6-8-17(16)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMCWGSCAKJGEKDT-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

pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
methyl 2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4231793
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 4248244
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate (CID 731943) is ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate is CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is MCWGSCAKJGEKDT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-19(22)13(2)25-15-11-9-14(10-12-15)18(21)20-16-7-5-6-8-17(16)23-3/h5-13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate?
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate 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 (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 731943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).