N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide

C18H21NO — CID 22101295

IUPACN-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide
SMILESCCN(C(C)=O)C1Cc2cccc3ccc(C)c(c23)C1
InChIInChI=1S/C18H21NO/c1-4-19(13(3)20)16-10-15-7-5-6-14-9-8-12(2)17(11-16)18(14)15/h5-9,16H,4,10-11H2,1-3H3
InChIKeyZUKOPTKRGVDGBG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.48
Rot. Bonds2

About N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide

N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide (PubChem CID 22101295) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide
PubChem CID22101295
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide
SMILESCCN(C(C)=O)C1Cc2cccc3ccc(C)c(c23)C1
InChIInChI=1S/C18H21NO/c1-4-19(13(3)20)16-10-15-7-5-6-14-9-8-12(2)17(11-16)18(14)15/h5-9,16H,4,10-11H2,1-3H3
InChIKeyZUKOPTKRGVDGBG-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide?
The IUPAC name of N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide (CID 22101295) is N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide is CCN(C(C)=O)C1Cc2cccc3ccc(C)c(c23)C1.
What is the InChIKey of N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide?
The InChIKey is ZUKOPTKRGVDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-19(13(3)20)16-10-15-7-5-6-14-9-8-12(2)17(11-16)18(14)15/h5-9,16H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide?
N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methyl-2,3-dihydro-1H-phenalen-2-yl)acetamide is sourced from PubChem (CID 22101295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).