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

C17H25NO2 — CID 113101536

IUPAC3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
SMILESCC(C)CC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-13(2)11-17(19)18-9-10-20-16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyGOFFVTWJUKAERE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.11
Rot. Bonds6

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

3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide (PubChem CID 113101536) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
PubChem CID113101536
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
SMILESCC(C)CC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-13(2)11-17(19)18-9-10-20-16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyGOFFVTWJUKAERE-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.11
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-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
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
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide (CID 113101536) is 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide is CC(C)CC(=O)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide?
The InChIKey is GOFFVTWJUKAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)11-17(19)18-9-10-20-16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide?
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide has a molecular weight of 275.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide is sourced from PubChem (CID 113101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).