2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide

C20H22N2O2 — CID 4599230

IUPAC2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-7-9-16(2)20(15)24-14-19(23)22-21-17(3)12-13-18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyRUOOOCUEBQKNAB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.89
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide

2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide (PubChem CID 4599230) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
PubChem CID4599230
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C20H22N2O2/c1-15-8-7-9-16(2)20(15)24-14-19(23)22-21-17(3)12-13-18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyRUOOOCUEBQKNAB-UHFFFAOYSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.89
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

2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4606921
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
CID 135710565
5-[(Z)-N-[[2-(2,6-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8860547
3-methyl-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6013341
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide (CID 4599230) is 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide is CC(C=Cc1ccccc1)=NNC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide?
The InChIKey is RUOOOCUEBQKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-7-9-16(2)20(15)24-14-19(23)22-21-17(3)12-13-18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide?
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide is sourced from PubChem (CID 4599230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).