[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

C19H21NO5 — CID 8791422

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C19H21NO5/c1-3-23-17-12-8-7-11-16(17)20-18(21)13-24-19(22)14(2)25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyDEFWHDNLTYJLNV-CQSZACIVSA-N
MW343.38 g/mol
LogP3.03
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (PubChem CID 8791422) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
PubChem CID8791422
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C19H21NO5/c1-3-23-17-12-8-7-11-16(17)20-18(21)13-24-19(22)14(2)25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyDEFWHDNLTYJLNV-CQSZACIVSA-N
XLogP3.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606423
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (CID 8791422) is [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is CCOc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The InChIKey is DEFWHDNLTYJLNV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-23-17-12-8-7-11-16(17)20-18(21)13-24-19(22)14(2)25-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate has a molecular weight of 343.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 8791422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).