N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide

C17H19NO2 — CID 10778397

IUPACN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc3c2c1C(CCNC(C)=O)C3
InChIInChI=1S/C17H19NO2/c1-11(19)18-9-8-14-10-13-5-3-4-12-6-7-15(20-2)17(14)16(12)13/h3-7,14H,8-10H2,1-2H3,(H,18,19)
InChIKeyWGZSPGSXLCATST-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide

N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide (PubChem CID 10778397) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
PubChem CID10778397
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc3c2c1C(CCNC(C)=O)C3
InChIInChI=1S/C17H19NO2/c1-11(19)18-9-8-14-10-13-5-3-4-12-6-7-15(20-2)17(14)16(12)13/h3-7,14H,8-10H2,1-2H3,(H,18,19)
InChIKeyWGZSPGSXLCATST-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide (CID 10778397) is N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide is COc1ccc2cccc3c2c1C(CCNC(C)=O)C3.
What is the InChIKey of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The InChIKey is WGZSPGSXLCATST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(19)18-9-8-14-10-13-5-3-4-12-6-7-15(20-2)17(14)16(12)13/h3-7,14H,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide is sourced from PubChem (CID 10778397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).