2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide

C20H24N2O2 — CID 17169264

IUPAC2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-13-6-8-18(16(4)10-13)12-21-22-20(23)17(5)24-19-9-7-14(2)15(3)11-19/h6-12,17H,1-5H3,(H,22,23)/b21-12+
InChIKeyAWICWYLKDGJRKB-CIAFOILYSA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide

2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide (PubChem CID 17169264) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide
PubChem CID17169264
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide
SMILESCc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-13-6-8-18(16(4)10-13)12-21-22-20(23)17(5)24-19-9-7-14(2)15(3)11-19/h6-12,17H,1-5H3,(H,22,23)/b21-12+
InChIKeyAWICWYLKDGJRKB-CIAFOILYSA-N
XLogP3.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
CID 5431291
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2R)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5414506
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-N-[(E)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 39365729
(2S)-N-[(Z)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 31087323
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide (CID 17169264) is 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide is Cc1ccc(/C=N/NC(=O)C(C)Oc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide?
The InChIKey is AWICWYLKDGJRKB-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-6-8-18(16(4)10-13)12-21-22-20(23)17(5)24-19-9-7-14(2)15(3)11-19/h6-12,17H,1-5H3,(H,22,23)/b21-12+.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide?
2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(E)-(2,4-dimethylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 17169264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).