[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

C21H23NO5 — CID 2397766

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H23NO5/c1-13-6-5-7-19(12-13)26-16(4)21(25)27-15(3)20(24)22-18-10-8-17(9-11-18)14(2)23/h5-12,15-16H,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeySNHBPCANPSYFND-JKSUJKDBSA-N
MW369.42 g/mol
LogP3.54
Rot. Bonds7

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate (PubChem CID 2397766) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
PubChem CID2397766
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H23NO5/c1-13-6-5-7-19(12-13)26-16(4)21(25)27-15(3)20(24)22-18-10-8-17(9-11-18)14(2)23/h5-12,15-16H,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeySNHBPCANPSYFND-JKSUJKDBSA-N
XLogP3.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate 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

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562778
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737888
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate (CID 2397766) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate is CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The InChIKey is SNHBPCANPSYFND-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-6-5-7-19(12-13)26-16(4)21(25)27-15(3)20(24)22-18-10-8-17(9-11-18)14(2)23/h5-12,15-16H,1-4H3,(H,22,24)/t15-,16+/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate has a molecular weight of 369.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 2397766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).