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

C20H27NO — CID 140972151

IUPACN-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCCc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C20H27NO/c1-3-4-5-6-8-17-11-12-18-9-7-10-19(20(18)15-17)13-14-21-16(2)22/h7,9-12,15H,3-6,8,13-14H2,1-2H3,(H,21,22)
InChIKeyDJTWMGYNAZJGMC-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.64
Rot. Bonds8

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

N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide (PubChem CID 140972151) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
PubChem CID140972151
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
SMILESCCCCCCc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C20H27NO/c1-3-4-5-6-8-17-11-12-18-9-7-10-19(20(18)15-17)13-14-21-16(2)22/h7,9-12,15H,3-6,8,13-14H2,1-2H3,(H,21,22)
InChIKeyDJTWMGYNAZJGMC-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,7-di(nonyl)naphthalene
CID 173372724
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
sodium 7-tetradecylnaphthalene-1-sulfonate
CID 101317075
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
8-decylnaphthalene-2-sulfonic acid
CID 101315066
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915
2,7-di(heptadecyl)naphthalene-1-sulfonic acid
CID 101319308

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide (CID 140972151) is N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide is CCCCCCc1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide?
The InChIKey is DJTWMGYNAZJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-4-5-6-8-17-11-12-18-9-7-10-19(20(18)15-17)13-14-21-16(2)22/h7,9-12,15H,3-6,8,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 140972151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).