[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate

C20H21ClN2O5 — CID 24687676

IUPAC[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
SMILESCOc1cccc(NC(=O)C(C)OC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O5/c1-12(22-19(25)14-7-9-15(21)10-8-14)20(26)28-13(2)18(24)23-16-5-4-6-17(11-16)27-3/h4-13H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCUASNOMHNUHEMD-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.04
Rot. Bonds7

About [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate

[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 24687676) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
PubChem CID24687676
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
SMILESCOc1cccc(NC(=O)C(C)OC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O5/c1-12(22-19(25)14-7-9-15(21)10-8-14)20(26)28-13(2)18(24)23-16-5-4-6-17(11-16)27-3/h4-13H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCUASNOMHNUHEMD-UHFFFAOYSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563671
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307038
4-chloro-N-[1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51065776
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-hydroxybenzoate
CID 8604191
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 7571922
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate (CID 24687676) is [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate is COc1cccc(NC(=O)C(C)OC(=O)C(C)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is CUASNOMHNUHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-12(22-19(25)14-7-9-15(21)10-8-14)20(26)28-13(2)18(24)23-16-5-4-6-17(11-16)27-3/h4-13H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate?
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 404.85 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 24687676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).