N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide

C19H19N3O3 — CID 78780605

IUPACN'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-14-4-8-16(9-5-14)19(24)22-21-18(23)13(2)25-17-10-6-15(12-20)7-11-17/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGTBAASNRWFZVHD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.35
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide

N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide (PubChem CID 78780605) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
PubChem CID78780605
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-14-4-8-16(9-5-14)19(24)22-21-18(23)13(2)25-17-10-6-15(12-20)7-11-17/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGTBAASNRWFZVHD-UHFFFAOYSA-N
XLogP2.35
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41273245
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide (CID 78780605) is N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide?
The InChIKey is GTBAASNRWFZVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-14-4-8-16(9-5-14)19(24)22-21-18(23)13(2)25-17-10-6-15(12-20)7-11-17/h4-11,13H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide?
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide has a molecular weight of 337.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 78780605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).