N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C21H18N2O3 — CID 893347

IUPACN-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C21H18N2O3/c1-2-26-18-12-4-3-10-16(18)22-19(24)13-23-17-11-6-8-14-7-5-9-15(20(14)17)21(23)25/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyWMVSKWHTUMLSFO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.84
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 893347) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID893347
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C21H18N2O3/c1-2-26-18-12-4-3-10-16(18)22-19(24)13-23-17-11-6-8-14-7-5-9-15(20(14)17)21(23)25/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyWMVSKWHTUMLSFO-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
ethyl 4-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1083001
N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
CID 1091802
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 7699408
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 893347) is N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CCOc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is WMVSKWHTUMLSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-26-18-12-4-3-10-16(18)22-19(24)13-23-17-11-6-8-14-7-5-9-15(20(14)17)21(23)25/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 346.39 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 N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 893347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).