N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide

C32H40F6N2O4 — CID 161065922

IUPACN-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C1CCc2ccc(O)cc2C1.CCCN(C(=O)C(F)(F)F)C1CCc2ccc(OCC)cc2C1
InChIInChI=1S/C17H22F3NO2.C15H18F3NO2/c1-3-9-21(16(22)17(18,19)20)14-7-5-12-6-8-15(23-4-2)11-13(12)10-14;1-2-7-19(14(21)15(16,17)18)12-5-3-10-4-6-13(20)9-11(10)8-12/h6,8,11,14H,3-5,7,9-10H2,1-2H3;4,6,9,12,20H,2-3,5,7-8H2,1H3
InChIKeyUEACWULPLXSXPO-UHFFFAOYSA-N
MW630.67 g/mol
LogP6.79
Rot. Bonds8

About N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide

N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide (PubChem CID 161065922) has the molecular formula C32H40F6N2O4 and a molecular weight of 630.67 g/mol. Its IUPAC name is N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide
PubChem CID161065922
Molecular FormulaC32H40F6N2O4
Molecular Weight630.67 g/mol
Exact Mass630.29
IUPAC NameN-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C1CCc2ccc(O)cc2C1.CCCN(C(=O)C(F)(F)F)C1CCc2ccc(OCC)cc2C1
InChIInChI=1S/C17H22F3NO2.C15H18F3NO2/c1-3-9-21(16(22)17(18,19)20)14-7-5-12-6-8-15(23-4-2)11-13(12)10-14;1-2-7-19(14(21)15(16,17)18)12-5-3-10-4-6-13(20)9-11(10)8-12/h6,8,11,14H,3-5,7,9-10H2,1-2H3;4,6,9,12,20H,2-3,5,7-8H2,1H3
InChIKeyUEACWULPLXSXPO-UHFFFAOYSA-N
XLogP6.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide with MolForge

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Related Compounds

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
7-[(2-fluoro-2-methoxyethyl)-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91477099
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976
7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 6305587
7-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10512444
7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91363725
[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone
CID 22649552
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
tert-butyl N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylcarbamate
CID 68911943
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
N-(6-fluoro-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide
CID 10380559
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171

Frequently Asked Questions

What is the IUPAC name of N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide?
The IUPAC name of N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide (CID 161065922) is N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide.
What is the SMILES notation for N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide?
The canonical SMILES for N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide is CCCN(C(=O)C(F)(F)F)C1CCc2ccc(O)cc2C1.CCCN(C(=O)C(F)(F)F)C1CCc2ccc(OCC)cc2C1.
What is the InChIKey of N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide?
The InChIKey is UEACWULPLXSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2.C15H18F3NO2/c1-3-9-21(16(22)17(18,19)20)14-7-5-12-6-8-15(23-4-2)11-13(12)10-14;1-2-7-19(14(21)15(16,17)18)12-5-3-10-4-6-13(20)9-11(10)8-12/h6,8,11,14H,3-5,7,9-10H2,1-2H3;4,6,9,12,20H,2-3,5,7-8H2,1H3.
What are the key properties of N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide?
N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide has a molecular weight of 630.67 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide is sourced from PubChem (CID 161065922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).