(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide

C21H23N3O4 — CID 24792853

IUPAC(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H23N3O4/c1-15(16-8-11-18(27-2)12-9-16)23-24-21(26)14-22-20(25)13-10-17-6-4-5-7-19(17)28-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-10+,23-15?
InChIKeyPNKVQYGTYHFKDS-AZDGIXIISA-N
MW381.43 g/mol
LogP2.37
Rot. Bonds8

About (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide (PubChem CID 24792853) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
PubChem CID24792853
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)/C=C/c2ccccc2OC)cc1
InChIInChI=1S/C21H23N3O4/c1-15(16-8-11-18(27-2)12-9-16)23-24-21(26)14-22-20(25)13-10-17-6-4-5-7-19(17)28-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-10+,23-15?
InChIKeyPNKVQYGTYHFKDS-AZDGIXIISA-N
XLogP2.37
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 46496007
(E)-N-[2-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 7373376
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
4-[(Z)-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoate
CID 6029436
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522
2-hydroxy-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3487229
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
(E)-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 24816776
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide (CID 24792853) is (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is COc1ccc(C(C)=NNC(=O)CNC(=O)/C=C/c2ccccc2OC)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The InChIKey is PNKVQYGTYHFKDS-AZDGIXIISA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(16-8-11-18(27-2)12-9-16)23-24-21(26)14-22-20(25)13-10-17-6-4-5-7-19(17)28-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-10+,23-15?.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide has a molecular weight of 381.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 24792853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).