[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate

C24H22N2O4 — CID 3457631

IUPAC[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
SMILESCOC(C(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-17-8-12-20(13-9-17)24(28)30-21-14-10-18(11-15-21)16-25-26-23(27)22(29-2)19-6-4-3-5-7-19/h3-16,22H,1-2H3,(H,26,27)
InChIKeyDFQBOMMHBOBGNS-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.05
Rot. Bonds7

About [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate

[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate (PubChem CID 3457631) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
PubChem CID3457631
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
SMILESCOC(C(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O4/c1-17-8-12-20(13-9-17)24(28)30-21-14-10-18(11-15-21)16-25-26-23(27)22(29-2)19-6-4-3-5-7-19/h3-16,22H,1-2H3,(H,26,27)
InChIKeyDFQBOMMHBOBGNS-UHFFFAOYSA-N
XLogP4.05
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.05
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'}

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Related Compounds

2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
[4-[(acetylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5115377
[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 7108196
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5007447
[4-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4619205
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4091202
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3765420
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
[4-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 576711

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The IUPAC name of [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate (CID 3457631) is [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The canonical SMILES for [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate is COC(C(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The InChIKey is DFQBOMMHBOBGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17-8-12-20(13-9-17)24(28)30-21-14-10-18(11-15-21)16-25-26-23(27)22(29-2)19-6-4-3-5-7-19/h3-16,22H,1-2H3,(H,26,27).
What are the key properties of [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate has a molecular weight of 402.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate is sourced from PubChem (CID 3457631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).