N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

C17H21NO2 — CID 10468427

IUPACN-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-13-9-14-5-6-16(20-3)11-17(14)15(10-13)7-8-18-12(2)19/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyZLLSNBDNTLZOKV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 10468427) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID10468427
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO2/c1-4-13-9-14-5-6-16(20-3)11-17(14)15(10-13)7-8-18-12(2)19/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyZLLSNBDNTLZOKV-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 10468427) is N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is CCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1.
What is the InChIKey of N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is ZLLSNBDNTLZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-13-9-14-5-6-16(20-3)11-17(14)15(10-13)7-8-18-12(2)19/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 10468427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).