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

C17H18N2O2 — CID 894208

IUPACN,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C17H18N2O2/c1-3-18(4-2)15(20)11-19-14-10-6-8-12-7-5-9-13(16(12)14)17(19)21/h5-10H,3-4,11H2,1-2H3
InChIKeyAGRSBXZXUXJEDI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.67
Rot. Bonds4

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

N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 894208) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID894208
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C17H18N2O2/c1-3-18(4-2)15(20)11-19-14-10-6-8-12-7-5-9-13(16(12)14)17(19)21/h5-10H,3-4,11H2,1-2H3
InChIKeyAGRSBXZXUXJEDI-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 894208) is N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CCN(CC)C(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is AGRSBXZXUXJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-18(4-2)15(20)11-19-14-10-6-8-12-7-5-9-13(16(12)14)17(19)21/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 894208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).