[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate

C20H21NO5 — CID 8606094

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H21NO5/c1-4-25-18-11-6-5-10-17(18)20(24)26-14(3)19(23)21-16-9-7-8-15(12-16)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyFZGOBBGTQJOHGJ-CQSZACIVSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds7

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate (PubChem CID 8606094) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
PubChem CID8606094
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C20H21NO5/c1-4-25-18-11-6-5-10-17(18)20(24)26-14(3)19(23)21-16-9-7-8-15(12-16)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyFZGOBBGTQJOHGJ-CQSZACIVSA-N
XLogP3.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 2500969
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 2623845
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7953511
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606682
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 42900821
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-ethoxybenzoate
CID 8607141
(1-anilino-1-oxopropan-2-yl) 2-(3,4-diethoxybenzoyl)benzoate
CID 55328273
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 2605686

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate (CID 8606094) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
The InChIKey is FZGOBBGTQJOHGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-25-18-11-6-5-10-17(18)20(24)26-14(3)19(23)21-16-9-7-8-15(12-16)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate is sourced from PubChem (CID 8606094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).