[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate

C23H25ClN2O5 — CID 55365726

IUPAC[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H25ClN2O5/c1-13(2)21(28)26-17-11-9-16(10-12-17)20(27)15(4)31-23(30)14(3)25-22(29)18-7-5-6-8-19(18)24/h5-15H,1-4H3,(H,25,29)(H,26,28)
InChIKeyGPTBMZYPAYUVRR-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.87
Rot. Bonds8

About [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate

[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55365726) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55365726
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H25ClN2O5/c1-13(2)21(28)26-17-11-9-16(10-12-17)20(27)15(4)31-23(30)14(3)25-22(29)18-7-5-6-8-19(18)24/h5-15H,1-4H3,(H,25,29)(H,26,28)
InChIKeyGPTBMZYPAYUVRR-UHFFFAOYSA-N
XLogP3.87
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887763
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887765
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307038
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-iodobenzoate
CID 46812053
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531958
[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926372
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 7571934
[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570838
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate (CID 55365726) is [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate is CC(C)C(=O)Nc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is GPTBMZYPAYUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c1-13(2)21(28)26-17-11-9-16(10-12-17)20(27)15(4)31-23(30)14(3)25-22(29)18-7-5-6-8-19(18)24/h5-15H,1-4H3,(H,25,29)(H,26,28).
What are the key properties of [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 444.92 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55365726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).