2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide

C21H25NO3 — CID 113101573

IUPAC2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCOc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H25NO3/c1-16-6-9-19(10-7-16)25-15-21(23)22-12-13-24-20-11-8-17-4-2-3-5-18(17)14-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,23)
InChIKeyGRIPPCBPBAWOLJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide

2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (PubChem CID 113101573) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
PubChem CID113101573
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCOc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H25NO3/c1-16-6-9-19(10-7-16)25-15-21(23)22-12-13-24-20-11-8-17-4-2-3-5-18(17)14-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,23)
InChIKeyGRIPPCBPBAWOLJ-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (CID 113101573) is 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is Cc1ccc(OCC(=O)NCCOc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The InChIKey is GRIPPCBPBAWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-6-9-19(10-7-16)25-15-21(23)22-12-13-24-20-11-8-17-4-2-3-5-18(17)14-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,23).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 113101573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).