3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide

C19H19N3O4 — CID 8960544

IUPAC3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O4/c1-3-25-16-7-9-17(10-8-16)26-13(2)18(23)21-22-19(24)15-6-4-5-14(11-15)12-20/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMGQMAINEFKNKTO-CYBMUJFWSA-N
MW353.38 g/mol
LogP2.19
Rot. Bonds6

About 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide

3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide (PubChem CID 8960544) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
PubChem CID8960544
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C19H19N3O4/c1-3-25-16-7-9-17(10-8-16)26-13(2)18(23)21-22-19(24)15-6-4-5-14(11-15)12-20/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMGQMAINEFKNKTO-CYBMUJFWSA-N
XLogP2.19
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
CID 78779270
[3-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522344
[3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522345
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-cyanobenzoate
CID 8950416
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide (CID 8960544) is 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide is CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The InChIKey is MGQMAINEFKNKTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-25-16-7-9-17(10-8-16)26-13(2)18(23)21-22-19(24)15-6-4-5-14(11-15)12-20/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 8960544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).