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

C21H25NO2 — CID 113101580

IUPAC2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c1-16-6-2-3-8-18(16)15-21(23)22-12-13-24-20-11-10-17-7-4-5-9-19(17)14-20/h2-3,6,8,10-11,14H,4-5,7,9,12-13,15H2,1H3,(H,22,23)
InChIKeyXVRJASNMJCNTEW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.61
Rot. Bonds6

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

2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (PubChem CID 113101580) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
PubChem CID113101580
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c1-16-6-2-3-8-18(16)15-21(23)22-12-13-24-20-11-10-17-7-4-5-9-19(17)14-20/h2-3,6,8,10-11,14H,4-5,7,9,12-13,15H2,1H3,(H,22,23)
InChIKeyXVRJASNMJCNTEW-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974871
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide (CID 113101580) is 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is Cc1ccccc1CC(=O)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
The InChIKey is XVRJASNMJCNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-6-2-3-8-18(16)15-21(23)22-12-13-24-20-11-10-17-7-4-5-9-19(17)14-20/h2-3,6,8,10-11,14H,4-5,7,9,12-13,15H2,1H3,(H,22,23).
What are the key properties of 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide?
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 113101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).