N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide

C22H25F3N2O3 — CID 25062396

IUPACN-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCCNCCOc1cccc2c1C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C22H25F3N2O3/c1-2-26-12-13-29-20-5-3-4-15-6-9-17(14-19(15)20)27-21(28)16-7-10-18(11-8-16)30-22(23,24)25/h3-5,7-8,10-11,17,26H,2,6,9,12-14H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyKSNXOLOUXLCDGM-QGZVFWFLSA-N
MW422.45 g/mol
LogP3.86
Rot. Bonds8

About N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide

N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 25062396) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID25062396
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCCNCCOc1cccc2c1C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C22H25F3N2O3/c1-2-26-12-13-29-20-5-3-4-15-6-9-17(14-19(15)20)27-21(28)16-7-10-18(11-8-16)30-22(23,24)25/h3-5,7-8,10-11,17,26H,2,6,9,12-14H2,1H3,(H,27,28)/t17-/m1/s1
InChIKeyKSNXOLOUXLCDGM-QGZVFWFLSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide (CID 25062396) is N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide is CCNCCOc1cccc2c1C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is KSNXOLOUXLCDGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-2-26-12-13-29-20-5-3-4-15-6-9-17(14-19(15)20)27-21(28)16-7-10-18(11-8-16)30-22(23,24)25/h3-5,7-8,10-11,17,26H,2,6,9,12-14H2,1H3,(H,27,28)/t17-/m1/s1.
What are the key properties of N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide?
N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 422.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-8-[2-(ethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 25062396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).