2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide

C21H21NO2 — CID 59074962

IUPAC2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide
SMILESCCOc1cccc2c1C(CC(N)=O)=C(C)/C2=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-12H,3,13H2,1-2H3,(H2,22,23)/b17-12-
InChIKeyBXSPQCZVSKZCGQ-ATVHPVEESA-N
MW319.40 g/mol
LogP4.29
Rot. Bonds5

About 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide

2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide (PubChem CID 59074962) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide
PubChem CID59074962
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide
SMILESCCOc1cccc2c1C(CC(N)=O)=C(C)/C2=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-12H,3,13H2,1-2H3,(H2,22,23)/b17-12-
InChIKeyBXSPQCZVSKZCGQ-ATVHPVEESA-N
XLogP4.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-benzylidene-3-ethyl-2-methylinden-4-ol
CID 59070266
methyl 2-[(1Z)-3-(aminoperoxymethyl)-1-benzylidene-2-ethylinden-4-yl]oxyacetate
CID 142075358
2-(3-benzyl-7-ethoxy-2-methyl-1H-inden-1-yl)acetamide
CID 20592736
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
2-[[5-(2-ethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6459373
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
ethyl carbamate;stilbene
CID 175156091
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
pentan-3-yl 2-(2-ethoxyphenyl)benzoate
CID 118040088

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide?
The IUPAC name of 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide (CID 59074962) is 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide.
What is the SMILES notation for 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide?
The canonical SMILES for 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide is CCOc1cccc2c1C(CC(N)=O)=C(C)/C2=C/c1ccccc1.
What is the InChIKey of 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide?
The InChIKey is BXSPQCZVSKZCGQ-ATVHPVEESA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-24-19-11-7-10-16-17(12-15-8-5-4-6-9-15)14(2)18(21(16)19)13-20(22)23/h4-12H,3,13H2,1-2H3,(H2,22,23)/b17-12-.
What are the key properties of 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide?
2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-benzylidene-7-ethoxy-2-methylinden-1-yl]acetamide is sourced from PubChem (CID 59074962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).