[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate

C23H26N4O4 — CID 7149523

IUPAC[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H26N4O4/c1-16(2)27-21(13-14-24-27)26-23(29)17(3)31-22(28)15-30-20-11-9-19(10-12-20)25-18-7-5-4-6-8-18/h4-14,16-17,25H,15H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyBXADRAQQPPCGMU-QGZVFWFLSA-N
MW422.49 g/mol
LogP4.16
Rot. Bonds9

About [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate (PubChem CID 7149523) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
PubChem CID7149523
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H26N4O4/c1-16(2)27-21(13-14-24-27)26-23(29)17(3)31-22(28)15-30-20-11-9-19(10-12-20)25-18-7-5-4-6-8-18/h4-14,16-17,25H,15H2,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyBXADRAQQPPCGMU-QGZVFWFLSA-N
XLogP4.16
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598584
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8908561
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570587
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 42898592
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274437
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 7149565
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-phenoxybenzoate
CID 7838028
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 29433528
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-benzoylbenzoate
CID 7203676
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate (CID 7149523) is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate is CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate?
The InChIKey is BXADRAQQPPCGMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16(2)27-21(13-14-24-27)26-23(29)17(3)31-22(28)15-30-20-11-9-19(10-12-20)25-18-7-5-4-6-8-18/h4-14,16-17,25H,15H2,1-3H3,(H,26,29)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate?
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate has a molecular weight of 422.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 7149523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).