N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C21H25NO2 — CID 100569732

IUPACN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NCCCc1ccccc1
InChIInChI=1S/C21H25NO2/c23-21(22-15-7-10-17-8-2-1-3-9-17)16-24-20-14-6-12-18-11-4-5-13-19(18)20/h1-3,6,8-9,12,14H,4-5,7,10-11,13,15-16H2,(H,22,23)
InChIKeyYSRFSWPRZGARQJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.69
Rot. Bonds7

About N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100569732) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100569732
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NCCCc1ccccc1
InChIInChI=1S/C21H25NO2/c23-21(22-15-7-10-17-8-2-1-3-9-17)16-24-20-14-6-12-18-11-4-5-13-19(18)20/h1-3,6,8-9,12,14H,4-5,7,10-11,13,15-16H2,(H,22,23)
InChIKeyYSRFSWPRZGARQJ-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-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100555755
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100750796
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
1-benzyl-1-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975009
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
CID 177236476

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100569732) is N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is O=C(COc1cccc2c1CCCC2)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is YSRFSWPRZGARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(22-15-7-10-17-8-2-1-3-9-17)16-24-20-14-6-12-18-11-4-5-13-19(18)20/h1-3,6,8-9,12,14H,4-5,7,10-11,13,15-16H2,(H,22,23).
What are the key properties of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide 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 N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100569732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).