N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide

C19H19N3O4 — CID 9440251

IUPACN'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-3-9-26-16-8-7-15(11-17(16)25-2)19(24)22-21-18(23)14-6-4-5-13(10-14)12-20/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCSPAPCANCSETSE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.43
Rot. Bonds6

About N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide

N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide (PubChem CID 9440251) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
PubChem CID9440251
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-3-9-26-16-8-7-15(11-17(16)25-2)19(24)22-21-18(23)14-6-4-5-13(10-14)12-20/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCSPAPCANCSETSE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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

4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
CID 7278196
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
(2-propoxyphenyl) 3-cyanobenzoate
CID 8697756

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide (CID 9440251) is N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC.
What is the InChIKey of N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is CSPAPCANCSETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-9-26-16-8-7-15(11-17(16)25-2)19(24)22-21-18(23)14-6-4-5-13(10-14)12-20/h4-8,10-11H,3,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 9440251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).