N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide

C18H17N3O3 — CID 2453941

IUPACN'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
SMILESC=C(NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O3/c1-12(14-6-4-13(11-19)5-7-14)20-21-18(22)15-8-9-16(23-2)17(10-15)24-3/h4-10,20H,1H2,2-3H3,(H,21,22)
InChIKeyMEWYSMWGYKQDGW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.48
Rot. Bonds6

About N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide

N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide (PubChem CID 2453941) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
PubChem CID2453941
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
SMILESC=C(NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O3/c1-12(14-6-4-13(11-19)5-7-14)20-21-18(22)15-8-9-16(23-2)17(10-15)24-3/h4-10,20H,1H2,2-3H3,(H,21,22)
InChIKeyMEWYSMWGYKQDGW-UHFFFAOYSA-N
XLogP2.48
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.48
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

N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]-3,4-dimethoxybenzohydrazide
CID 2435971
methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
CID 2589936
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
CID 61119027
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide (CID 2453941) is N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide is C=C(NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C#N)cc1.
What is the InChIKey of N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is MEWYSMWGYKQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(14-6-4-13(11-19)5-7-14)20-21-18(22)15-8-9-16(23-2)17(10-15)24-3/h4-10,20H,1H2,2-3H3,(H,21,22).
What are the key properties of N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide?
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 323.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 2453941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).