N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide

C19H20N4O3 — CID 78779270

IUPACN'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C19H20N4O3/c1-13(26-17-9-7-14(12-20)8-10-17)18(24)21-22-19(25)15-5-4-6-16(11-15)23(2)3/h4-11,13H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGJPXRGJIGJWCBL-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.85
Rot. Bonds5

About N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide

N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide (PubChem CID 78779270) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
PubChem CID78779270
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C19H20N4O3/c1-13(26-17-9-7-14(12-20)8-10-17)18(24)21-22-19(25)15-5-4-6-16(11-15)23(2)3/h4-11,13H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGJPXRGJIGJWCBL-UHFFFAOYSA-N
XLogP1.85
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.85
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-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 35768566
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
(4-cyanophenyl)methyl 3-(dimethylamino)benzoate
CID 2673278
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide (CID 78779270) is N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide is CC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide?
The InChIKey is GJPXRGJIGJWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(26-17-9-7-14(12-20)8-10-17)18(24)21-22-19(25)15-5-4-6-16(11-15)23(2)3/h4-11,13H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide?
N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide has a molecular weight of 352.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide is sourced from PubChem (CID 78779270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).