N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

C21H25N3O6 — CID 6322344

IUPACN-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25N3O6/c1-13(16-8-7-15(27-2)11-18(16)29-4)23-24-20(25)12-22-21(26)14-6-9-17(28-3)19(10-14)30-5/h6-11H,12H2,1-5H3,(H,22,26)(H,24,25)/b23-13+
InChIKeyHUTMSRIAGCPWSB-YDZHTSKRSA-N
MW415.45 g/mol
LogP1.99
Rot. Bonds9

About N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 6322344) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID6322344
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC NameN-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H25N3O6/c1-13(16-8-7-15(27-2)11-18(16)29-4)23-24-20(25)12-22-21(26)14-6-9-17(28-3)19(10-14)30-5/h6-11H,12H2,1-5H3,(H,22,26)(H,24,25)/b23-13+
InChIKeyHUTMSRIAGCPWSB-YDZHTSKRSA-N
XLogP1.99
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 3324224
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-(1-quinolin-4-ylethylidene)hydrazinyl]ethyl]benzamide
CID 90061604
N-[2-[2-[1-(1-benzofuran-3-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 123835974
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3805270
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
3,4-dimethoxy-N-[2-oxo-2-[2-[2,2,2-trifluoro-1-(3-methoxyphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 123434441
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 6322344) is N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is HUTMSRIAGCPWSB-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-13(16-8-7-15(27-2)11-18(16)29-4)23-24-20(25)12-22-21(26)14-6-9-17(28-3)19(10-14)30-5/h6-11H,12H2,1-5H3,(H,22,26)(H,24,25)/b23-13+.
What are the key properties of N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6322344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).