2-naphthalen-1-yl-N-octadecylacetamide

C30H47NO — CID 71334923

IUPAC2-naphthalen-1-yl-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31-30(32)26-28-23-20-22-27-21-17-18-24-29(27)28/h17-18,20-24H,2-16,19,25-26H2,1H3,(H,31,32)
InChIKeyUZEPCMQGKBGHSX-UHFFFAOYSA-N
MW437.71 g/mol
LogP8.76
Rot. Bonds19

About 2-naphthalen-1-yl-N-octadecylacetamide

2-naphthalen-1-yl-N-octadecylacetamide (PubChem CID 71334923) has the molecular formula C30H47NO and a molecular weight of 437.71 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-octadecylacetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-octadecylacetamide
PubChem CID71334923
Molecular FormulaC30H47NO
Molecular Weight437.71 g/mol
Exact Mass437.37
IUPAC Name2-naphthalen-1-yl-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31-30(32)26-28-23-20-22-27-21-17-18-24-29(27)28/h17-18,20-24H,2-16,19,25-26H2,1H3,(H,31,32)
InChIKeyUZEPCMQGKBGHSX-UHFFFAOYSA-N
XLogP8.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 58.76
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

N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-[3-[5-(4-aminobutylamino)pentylamino]propyl]-2-naphthalen-1-ylacetamide
CID 10000946
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-octadecylacetamide?
The IUPAC name of 2-naphthalen-1-yl-N-octadecylacetamide (CID 71334923) is 2-naphthalen-1-yl-N-octadecylacetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-octadecylacetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-octadecylacetamide?
The InChIKey is UZEPCMQGKBGHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31-30(32)26-28-23-20-22-27-21-17-18-24-29(27)28/h17-18,20-24H,2-16,19,25-26H2,1H3,(H,31,32).
What are the key properties of 2-naphthalen-1-yl-N-octadecylacetamide?
2-naphthalen-1-yl-N-octadecylacetamide has a molecular weight of 437.71 g/mol, XLogP of 8.76, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-octadecylacetamide is sourced from PubChem (CID 71334923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).