N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide

C28H29NO3 — CID 90888260

IUPACN-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4ccccc4c3)cc12
InChIInChI=1S/C28H29NO3/c1-21(30)29-16-15-24-10-6-9-23-12-14-27(20-28(23)24)32-18-5-4-17-31-26-13-11-22-7-2-3-8-25(22)19-26/h2-3,6-14,19-20H,4-5,15-18H2,1H3,(H,29,30)
InChIKeyIGIBZMHLITUQON-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.91
Rot. Bonds10

About N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide

N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide (PubChem CID 90888260) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
PubChem CID90888260
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC NameN-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4ccccc4c3)cc12
InChIInChI=1S/C28H29NO3/c1-21(30)29-16-15-24-10-6-9-23-12-14-27(20-28(23)24)32-18-5-4-17-31-26-13-11-22-7-2-3-8-25(22)19-26/h2-3,6-14,19-20H,4-5,15-18H2,1H3,(H,29,30)
InChIKeyIGIBZMHLITUQON-UHFFFAOYSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915
N-[2-[7-[4-[8-[2-(furan-2-carbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
CID 18007930
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
4-[7-[4-[8-[2-(but-3-enoylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-N-methylbutanamide
CID 18007980

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide (CID 90888260) is N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide is CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4ccccc4c3)cc12.
What is the InChIKey of N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is IGIBZMHLITUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-21(30)29-16-15-24-10-6-9-23-12-14-27(20-28(23)24)32-18-5-4-17-31-26-13-11-22-7-2-3-8-25(22)19-26/h2-3,6-14,19-20H,4-5,15-18H2,1H3,(H,29,30).
What are the key properties of N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 427.54 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 90888260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).