3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide

C18H23NO2 — CID 19696840

IUPAC3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1ccc2cccc(CCC(=O)NCC(C)C)c2c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19-18(20)10-8-15-6-4-5-14-7-9-16(21-3)11-17(14)15/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,19,20)
InChIKeyLLCAIZDRONSEMH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds6

About 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide

3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 19696840) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID19696840
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
SMILESCOc1ccc2cccc(CCC(=O)NCC(C)C)c2c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19-18(20)10-8-15-6-4-5-14-7-9-16(21-3)11-17(14)15/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,19,20)
InChIKeyLLCAIZDRONSEMH-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide (CID 19696840) is 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide is COc1ccc2cccc(CCC(=O)NCC(C)C)c2c1.
What is the InChIKey of 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is LLCAIZDRONSEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)12-19-18(20)10-8-15-6-4-5-14-7-9-16(21-3)11-17(14)15/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,19,20).
What are the key properties of 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide?
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 19696840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).