[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

C24H23NO5 — CID 16522887

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-17(23(26)25-20-13-7-9-15-22(20)28-2)30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeySZMMOAUQEQQSOW-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.46
Rot. Bonds8

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (PubChem CID 16522887) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
PubChem CID16522887
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-17(23(26)25-20-13-7-9-15-22(20)28-2)30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeySZMMOAUQEQQSOW-UHFFFAOYSA-N
XLogP4.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate 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

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653346
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653349
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 43014307
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 2605686
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42973466
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (CID 16522887) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate is COc1ccccc1NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The InChIKey is SZMMOAUQEQQSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-17(23(26)25-20-13-7-9-15-22(20)28-2)30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15,17H,16H2,1-2H3,(H,25,26).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 16522887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).