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

C16H19NO2 — CID 10220759

IUPACN-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc2cccc(CCCNC(C)=O)c2c1
InChIInChI=1S/C16H19NO2/c1-12(18)17-10-4-7-13-5-3-6-14-8-9-15(19-2)11-16(13)14/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,17,18)
InChIKeyIFRNVVRYQBMVGV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.92
Rot. Bonds5

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

N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide (PubChem CID 10220759) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
PubChem CID10220759
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
SMILESCOc1ccc2cccc(CCCNC(C)=O)c2c1
InChIInChI=1S/C16H19NO2/c1-12(18)17-10-4-7-13-5-3-6-14-8-9-15(19-2)11-16(13)14/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,17,18)
InChIKeyIFRNVVRYQBMVGV-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
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]cyclopentanecarboxamide
CID 19086062
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 71521838
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopropanecarbothioamide
CID 19086085
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25174420
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide (CID 10220759) is N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide is COc1ccc2cccc(CCCNC(C)=O)c2c1.
What is the InChIKey of N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide?
The InChIKey is IFRNVVRYQBMVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(18)17-10-4-7-13-5-3-6-14-8-9-15(19-2)11-16(13)14/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide?
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide is sourced from PubChem (CID 10220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).