N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide

C20H27NO2 — CID 10448305

IUPACN-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCCOc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C20H27NO2/c1-3-4-5-6-14-23-19-11-10-17-8-7-9-18(20(17)15-19)12-13-21-16(2)22/h7-11,15H,3-6,12-14H2,1-2H3,(H,21,22)
InChIKeyUERJQJSDYBPIGF-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.48
Rot. Bonds9

About N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 10448305) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID10448305
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCCOc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C20H27NO2/c1-3-4-5-6-14-23-19-11-10-17-8-7-9-18(20(17)15-19)12-13-21-16(2)22/h7-11,15H,3-6,12-14H2,1-2H3,(H,21,22)
InChIKeyUERJQJSDYBPIGF-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide (CID 10448305) is N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide is CCCCCCOc1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is UERJQJSDYBPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-4-5-6-14-23-19-11-10-17-8-7-9-18(20(17)15-19)12-13-21-16(2)22/h7-11,15H,3-6,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 313.44 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hexoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 10448305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).