[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate

C22H24N2O3 — CID 562526

IUPAC[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccc(C=NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O3/c25-21(15-17-7-3-1-4-8-17)27-20-13-11-18(12-14-20)16-23-24-22(26)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,24,26)
InChIKeyMKMGADRKMLSAIW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.87
Rot. Bonds6

About [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate

[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate (PubChem CID 562526) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate
PubChem CID562526
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccc(C=NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O3/c25-21(15-17-7-3-1-4-8-17)27-20-13-11-18(12-14-20)16-23-24-22(26)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,24,26)
InChIKeyMKMGADRKMLSAIW-UHFFFAOYSA-N
XLogP3.87
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate?
The IUPAC name of [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate (CID 562526) is [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate.
What is the SMILES notation for [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate?
The canonical SMILES for [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccc(C=NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate?
The InChIKey is MKMGADRKMLSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(15-17-7-3-1-4-8-17)27-20-13-11-18(12-14-20)16-23-24-22(26)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,24,26).
What are the key properties of [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate?
[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate has a molecular weight of 364.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate is sourced from PubChem (CID 562526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).