2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

C22H24N2O2 — CID 3097034

IUPAC2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-17-13-14-21(15-18(17)2)26-16-22(25)24-23-19(3)9-7-8-12-20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,24,25)
InChIKeyPTPUCOZIVXHFLF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.44
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (PubChem CID 3097034) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
PubChem CID3097034
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-17-13-14-21(15-18(17)2)26-16-22(25)24-23-19(3)9-7-8-12-20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,24,25)
InChIKeyPTPUCOZIVXHFLF-UHFFFAOYSA-N
XLogP4.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.44
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 71831047
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4606921
2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2835475
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
CID 46741808
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (CID 3097034) is 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is CC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The InChIKey is PTPUCOZIVXHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-13-14-21(15-18(17)2)26-16-22(25)24-23-19(3)9-7-8-12-20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,24,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.44, 7 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-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is sourced from PubChem (CID 3097034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).