N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide

C16H17NO — CID 10752506

IUPACN-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(18)17-10-14-9-8-13-5-2-4-12-6-3-7-15(14)16(12)13/h2-7,14H,8-10H2,1H3,(H,17,18)
InChIKeyYEJNNHSHBRFGLW-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds2

About N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide

N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide (PubChem CID 10752506) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide
PubChem CID10752506
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(18)17-10-14-9-8-13-5-2-4-12-6-3-7-15(14)16(12)13/h2-7,14H,8-10H2,1H3,(H,17,18)
InChIKeyYEJNNHSHBRFGLW-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide (CID 10752506) is N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide is CC(=O)NCC1CCc2cccc3cccc1c23.
What is the InChIKey of N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide?
The InChIKey is YEJNNHSHBRFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(18)17-10-14-9-8-13-5-2-4-12-6-3-7-15(14)16(12)13/h2-7,14H,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide?
N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-phenalen-1-ylmethyl)acetamide is sourced from PubChem (CID 10752506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).