N-butyl-2-naphthalen-1-ylacetamide

C16H19NO — CID 56993604

IUPACN-butyl-2-naphthalen-1-ylacetamide
SMILESCCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-2-3-11-17-16(18)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H,17,18)
InChIKeyQIWRCKQIBNMMSS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.30
Rot. Bonds5

About N-butyl-2-naphthalen-1-ylacetamide

N-butyl-2-naphthalen-1-ylacetamide (PubChem CID 56993604) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-butyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-butyl-2-naphthalen-1-ylacetamide
PubChem CID56993604
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-butyl-2-naphthalen-1-ylacetamide
SMILESCCCCNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-2-3-11-17-16(18)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H,17,18)
InChIKeyQIWRCKQIBNMMSS-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.30
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

2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
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-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
2-[(2-naphthalen-1-ylacetyl)amino]ethylazanium
CID 3827956
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-butyl-2-naphthalen-1-ylacetamide (CID 56993604) is N-butyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-butyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-butyl-2-naphthalen-1-ylacetamide is CCCCNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-butyl-2-naphthalen-1-ylacetamide?
The InChIKey is QIWRCKQIBNMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-11-17-16(18)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H,17,18).
What are the key properties of N-butyl-2-naphthalen-1-ylacetamide?
N-butyl-2-naphthalen-1-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 56993604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).