2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C20H21N3O3 — CID 6875330

IUPAC2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccccc1OCC(=O)NCC(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-16-8-5-6-12-18(16)26-15-20(25)21-14-19(24)23-22-13-7-11-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,21,25)(H,23,24)/b11-7+,22-13+
InChIKeyOYGBVUCYCIZDKL-AIDHTSIMSA-N
MW351.41 g/mol
LogP2.31
Rot. Bonds8

About 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6875330) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6875330
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1ccccc1OCC(=O)NCC(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-16-8-5-6-12-18(16)26-15-20(25)21-14-19(24)23-22-13-7-11-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,21,25)(H,23,24)/b11-7+,22-13+
InChIKeyOYGBVUCYCIZDKL-AIDHTSIMSA-N
XLogP2.31
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
ethyl 2-[4-[(Z)-[[2-[[2-(2-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6043138
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2,2-diphenylacetamide
CID 4598701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6875330) is 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Cc1ccccc1OCC(=O)NCC(=O)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is OYGBVUCYCIZDKL-AIDHTSIMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-16-8-5-6-12-18(16)26-15-20(25)21-14-19(24)23-22-13-7-11-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,21,25)(H,23,24)/b11-7+,22-13+.
What are the key properties of 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6875330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).