N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide

C15H15NO3 — CID 44541672

IUPACN-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc2cccc(C(=O)CNC(C)=O)c2c1
InChIInChI=1S/C15H15NO3/c1-10(17)16-9-15(18)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyODGNMRIBILRQKW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide

N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide (PubChem CID 44541672) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
PubChem CID44541672
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc2cccc(C(=O)CNC(C)=O)c2c1
InChIInChI=1S/C15H15NO3/c1-10(17)16-9-15(18)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyODGNMRIBILRQKW-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25174420
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-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
CID 72702442
N-[2-(7-methoxyindolizin-1-yl)-2-oxoethyl]acetamide
CID 169203013
N-[(2S)-1-chloro-3-methylbutan-2-yl]-7-methoxynaphthalene-1-carboxamide
CID 10425220
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652
[3-acetamido-2-(7-methoxynaphthalen-1-yl)propyl] methanesulfonate
CID 86617345
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide (CID 44541672) is N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide is COc1ccc2cccc(C(=O)CNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide?
The InChIKey is ODGNMRIBILRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(17)16-9-15(18)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide?
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 44541672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).