[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate

C21H24N2O4 — CID 987935

IUPAC[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccc(CCCC(=O)NN=Cc2ccc(OC(C)=O)cc2)cc1C
InChIInChI=1S/C21H24N2O4/c1-15-13-17(9-12-20(15)26-3)5-4-6-21(25)23-22-14-18-7-10-19(11-8-18)27-16(2)24/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyJWLSYXFFOIKBHX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.40
Rot. Bonds8

About [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate

[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate (PubChem CID 987935) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate
PubChem CID987935
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccc(CCCC(=O)NN=Cc2ccc(OC(C)=O)cc2)cc1C
InChIInChI=1S/C21H24N2O4/c1-15-13-17(9-12-20(15)26-3)5-4-6-21(25)23-22-14-18-7-10-19(11-8-18)27-16(2)24/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyJWLSYXFFOIKBHX-UHFFFAOYSA-N
XLogP3.40
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate with MolForge

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 135420204
4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009
N-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 4552059
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 135764227
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-ethoxyphenyl)butanamide
CID 6047418
4-(4-methoxy-3-methylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanamide
CID 6072098
[4-[(Z)-[[2-(4-hydroxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110515633
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide
CID 90481763
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
CID 4069499
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate (CID 987935) is [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate is COc1ccc(CCCC(=O)NN=Cc2ccc(OC(C)=O)cc2)cc1C.
What is the InChIKey of [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate?
The InChIKey is JWLSYXFFOIKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-13-17(9-12-20(15)26-3)5-4-6-21(25)23-22-14-18-7-10-19(11-8-18)27-16(2)24/h7-14H,4-6H2,1-3H3,(H,23,25).
What are the key properties of [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate?
[4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate has a molecular weight of 368.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-methoxy-3-methylphenyl)butanoylhydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 987935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).