(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide

C23H21N3O2 — CID 39476448

IUPAC(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O2/c1-18(28-22-14-12-19(16-24)13-15-22)23(27)25-26(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-15,18H,17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyXNDBGFNWXBWPCM-GOSISDBHSA-N
MW371.44 g/mol
LogP4.06
Rot. Bonds7

About (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide

(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide (PubChem CID 39476448) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide
PubChem CID39476448
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O2/c1-18(28-22-14-12-19(16-24)13-15-22)23(27)25-26(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-15,18H,17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyXNDBGFNWXBWPCM-GOSISDBHSA-N
XLogP4.06
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
2-(4-cyanophenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 78810656
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931128
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
[(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856714
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide?
The IUPAC name of (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide (CID 39476448) is (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide.
What is the SMILES notation for (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide?
The canonical SMILES for (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide?
The InChIKey is XNDBGFNWXBWPCM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-18(28-22-14-12-19(16-24)13-15-22)23(27)25-26(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-15,18H,17H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide?
(2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide has a molecular weight of 371.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-benzyl-2-(4-cyanophenoxy)-N'-phenylpropanehydrazide is sourced from PubChem (CID 39476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).