[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate

C24H20N2O3 — CID 7749943

IUPAC[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C24H20N2O3/c1-17(23(27)26-21-14-8-9-18(15-21)16-25)29-24(28)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,1H3,(H,26,27)/t17-/m1/s1
InChIKeyNRCMAVMAHJFGCX-QGZVFWFLSA-N
MW384.44 g/mol
LogP4.26
Rot. Bonds6

About [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate

[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate (PubChem CID 7749943) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
PubChem CID7749943
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C24H20N2O3/c1-17(23(27)26-21-14-8-9-18(15-21)16-25)29-24(28)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,1H3,(H,26,27)/t17-/m1/s1
InChIKeyNRCMAVMAHJFGCX-QGZVFWFLSA-N
XLogP4.26
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772708
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842813
[1-(3-cyanoanilino)-1-oxopropan-2-yl] benzoate
CID 18777205
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7227791
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 7571922
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616983
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937732
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 7533952
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7533554
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate (CID 7749943) is [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate is C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The InChIKey is NRCMAVMAHJFGCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-17(23(27)26-21-14-8-9-18(15-21)16-25)29-24(28)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,1H3,(H,26,27)/t17-/m1/s1.
What are the key properties of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate?
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate has a molecular weight of 384.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 7749943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).