[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate

C23H20N4O4 — CID 55374014

IUPAC[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O4/c1-16(30-22(28)15-27-21-10-6-5-9-20(21)25-26-27)23(29)24-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,29)
InChIKeyCRCYJVQVIQRTGT-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.79
Rot. Bonds7

About [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate

[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate (PubChem CID 55374014) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate
PubChem CID55374014
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate
SMILESCC(OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O4/c1-16(30-22(28)15-27-21-10-6-5-9-20(21)25-26-27)23(29)24-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,29)
InChIKeyCRCYJVQVIQRTGT-UHFFFAOYSA-N
XLogP3.79
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-acetamidophenyl) 2-(benzotriazol-1-yl)acetate
CID 51189087
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(benzotriazol-1-yl)acetate
CID 18277794
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003493
[1-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 4679697
1-(benzotriazol-1-yl)-3-(4-phenoxyphenoxy)propan-2-one
CID 102532112
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-hydroxybenzoate
CID 2394055
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
(2S)-2-(benzotriazol-1-yloxy)-N-(4-cyanophenyl)propanamide
CID 41096096

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate (CID 55374014) is [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate is CC(OC(=O)Cn1nnc2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is CRCYJVQVIQRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-16(30-22(28)15-27-21-10-6-5-9-20(21)25-26-27)23(29)24-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,24,29).
What are the key properties of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate?
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 416.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 55374014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).