3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide

C21H25NO2 — CID 113101565

IUPAC3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c23-21(13-10-17-6-2-1-3-7-17)22-14-15-24-20-12-11-18-8-4-5-9-19(18)16-20/h1-3,6-7,11-12,16H,4-5,8-10,13-15H2,(H,22,23)
InChIKeyZDVTUASMYUCKKS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.69
Rot. Bonds7

About 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide

3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide (PubChem CID 113101565) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
PubChem CID113101565
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c23-21(13-10-17-6-2-1-3-7-17)22-14-15-24-20-12-11-18-8-4-5-9-19(18)16-20/h1-3,6-7,11-12,16H,4-5,8-10,13-15H2,(H,22,23)
InChIKeyZDVTUASMYUCKKS-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.69
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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47064713
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide (CID 113101565) is 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide is O=C(CCc1ccccc1)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide?
The InChIKey is ZDVTUASMYUCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(13-10-17-6-2-1-3-7-17)22-14-15-24-20-12-11-18-8-4-5-9-19(18)16-20/h1-3,6-7,11-12,16H,4-5,8-10,13-15H2,(H,22,23).
What are the key properties of 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide?
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide is sourced from PubChem (CID 113101565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).