[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate

C19H18N2O4 — CID 5015541

IUPAC[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
SMILESCOc1cc(C=NNC(C)=O)ccc1OC(=O)C=Cc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-14(22)21-20-13-16-8-10-17(18(12-16)24-2)25-19(23)11-9-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,22)
InChIKeyPOBQKWDQAUWALN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.78
Rot. Bonds6

About [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate

[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate (PubChem CID 5015541) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
PubChem CID5015541
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
SMILESCOc1cc(C=NNC(C)=O)ccc1OC(=O)C=Cc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-14(22)21-20-13-16-8-10-17(18(12-16)24-2)25-19(23)11-9-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,22)
InChIKeyPOBQKWDQAUWALN-UHFFFAOYSA-N
XLogP2.78
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 4293152
[4-[[(4-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3278536
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
[4-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3669343
N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
CID 25237262
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3870684
[4-[[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 4230498
[2-methoxy-4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 3346721
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 19171057
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6254782
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 6243829

Frequently Asked Questions

What is the IUPAC name of [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The IUPAC name of [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate (CID 5015541) is [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate is COc1cc(C=NNC(C)=O)ccc1OC(=O)C=Cc1ccccc1.
What is the InChIKey of [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
The InChIKey is POBQKWDQAUWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-14(22)21-20-13-16-8-10-17(18(12-16)24-2)25-19(23)11-9-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,22).
What are the key properties of [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate?
[4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate has a molecular weight of 338.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(acetylhydrazinylidene)methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 5015541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).