[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate

C20H23NO3 — CID 153439923

IUPAC[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate
SMILESC/C(Cc1ccc(C)cc1C)=N\OC(=O)COc1ccccc1C
InChIInChI=1S/C20H23NO3/c1-14-9-10-18(16(3)11-14)12-17(4)21-24-20(22)13-23-19-8-6-5-7-15(19)2/h5-11H,12-13H2,1-4H3/b21-17+
InChIKeyZNZBKRHHZMRRKW-HEHNFIMWSA-N
MW325.41 g/mol
LogP4.15
Rot. Bonds6

About [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate

[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate (PubChem CID 153439923) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate
PubChem CID153439923
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate
SMILESC/C(Cc1ccc(C)cc1C)=N\OC(=O)COc1ccccc1C
InChIInChI=1S/C20H23NO3/c1-14-9-10-18(16(3)11-14)12-17(4)21-24-20(22)13-23-19-8-6-5-7-15(19)2/h5-11H,12-13H2,1-4H3/b21-17+
InChIKeyZNZBKRHHZMRRKW-HEHNFIMWSA-N
XLogP4.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-bromophenyl)methylidene]amino] 2-(2,5-dimethylphenoxy)acetate
CID 2913710
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
CID 24721590
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-(2,3,5-trimethylphenoxy)acetate
CID 135468783
[[amino(pyridin-1-ium-3-yl)methylidene]amino] 2-(2,5-dimethylphenoxy)acetate
CID 135525945
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
CID 7767655
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate?
The IUPAC name of [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate (CID 153439923) is [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate is C/C(Cc1ccc(C)cc1C)=N\OC(=O)COc1ccccc1C.
What is the InChIKey of [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate?
The InChIKey is ZNZBKRHHZMRRKW-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-9-10-18(16(3)11-14)12-17(4)21-24-20(22)13-23-19-8-6-5-7-15(19)2/h5-11H,12-13H2,1-4H3/b21-17+.
What are the key properties of [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate?
[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate has a molecular weight of 325.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 153439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).