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

C16H16N2O3 — CID 3153424

IUPACN-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H16N2O3/c1-21-9-8-17-14(19)10-18-13-7-3-5-11-4-2-6-12(15(11)13)16(18)20/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyXTPPMCBNGQZCLJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.56
Rot. Bonds5

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

N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 3153424) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID3153424
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H16N2O3/c1-21-9-8-17-14(19)10-18-13-7-3-5-11-4-2-6-12(15(11)13)16(18)20/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyXTPPMCBNGQZCLJ-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 3153424) is N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is COCCNC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is XTPPMCBNGQZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-9-8-17-14(19)10-18-13-7-3-5-11-4-2-6-12(15(11)13)16(18)20/h2-7H,8-10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 3153424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).