N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide

C19H21NO — CID 11219713

IUPACN-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide
SMILESCC(=O)NCCC1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C19H21NO/c1-14(21)20-11-10-18-13-16-7-3-2-6-15(16)12-17-8-4-5-9-19(17)18/h2-9,18H,10-13H2,1H3,(H,20,21)
InChIKeyJGMUXRQDSLLLFE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide

N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide (PubChem CID 11219713) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide
PubChem CID11219713
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide
SMILESCC(=O)NCCC1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C19H21NO/c1-14(21)20-11-10-18-13-16-7-3-2-6-15(16)12-17-8-4-5-9-19(17)18/h2-9,18H,10-13H2,1H3,(H,20,21)
InChIKeyJGMUXRQDSLLLFE-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide?
The IUPAC name of N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide (CID 11219713) is N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide is CC(=O)NCCC1Cc2ccccc2Cc2ccccc21.
What is the InChIKey of N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide?
The InChIKey is JGMUXRQDSLLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(21)20-11-10-18-13-16-7-3-2-6-15(16)12-17-8-4-5-9-19(17)18/h2-9,18H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide?
N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]acetamide is sourced from PubChem (CID 11219713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).