(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide

C21H23N3O3 — CID 6060955

IUPAC(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-16(14-18-6-4-3-5-7-18)23-24-21(26)15-22-20(25)13-10-17-8-11-19(27-2)12-9-17/h3-13H,14-15H2,1-2H3,(H,22,25)(H,24,26)/b13-10+,23-16+
InChIKeyADXYQWAPHPOEQW-MZZZYUEISA-N
MW365.43 g/mol
LogP2.56
Rot. Bonds8

About (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide (PubChem CID 6060955) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide
PubChem CID6060955
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-16(14-18-6-4-3-5-7-18)23-24-21(26)15-22-20(25)13-10-17-8-11-19(27-2)12-9-17/h3-13H,14-15H2,1-2H3,(H,22,25)(H,24,26)/b13-10+,23-16+
InChIKeyADXYQWAPHPOEQW-MZZZYUEISA-N
XLogP2.56
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-(4-Methoxyphenyl)-2,3-dihydropyridazin-3-one
CID 2810166
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-phenylpropan-2-ylideneamino]acetamide
CID 9635812
(Z)-3-(2-Methoxy-phenyl)-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-acrylamide
CID 9698992
(2Z)-3-(2-furyl)-N-(2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-2-oxoethyl)acrylamide
CID 5808227
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312
5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
CID 15541843
2-[3-(3-Methoxy-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(3-methoxy-propyl)-acetamide
CID 3224474
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3231509
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-phenylmethylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9552932
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9642078
(2E)-3-(4-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9680671

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide (CID 6060955) is (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide?
The InChIKey is ADXYQWAPHPOEQW-MZZZYUEISA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16(14-18-6-4-3-5-7-18)23-24-21(26)15-22-20(25)13-10-17-8-11-19(27-2)12-9-17/h3-13H,14-15H2,1-2H3,(H,22,25)(H,24,26)/b13-10+,23-16+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]prop-2-enamide is sourced from PubChem (CID 6060955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).