N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

C19H18N2O — CID 10517621

IUPACN-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyLMEAPMOUSUWWKF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.35
Rot. Bonds3

About N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (PubChem CID 10517621) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
PubChem CID10517621
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2
InChIInChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyLMEAPMOUSUWWKF-UHFFFAOYSA-N
XLogP3.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (CID 10517621) is N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is CC(=O)NCCc1c2n(c3ccccc13)Cc1ccccc1-2.
What is the InChIKey of N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The InChIKey is LMEAPMOUSUWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is sourced from PubChem (CID 10517621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).