2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide

C25H24N4O2 — CID 127031440

IUPAC2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide
SMILESCCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C25H24N4O2/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30)
InChIKeyNOQXGINUCHHZNK-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.35
Rot. Bonds6

About 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide

2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide (PubChem CID 127031440) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide
PubChem CID127031440
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide
SMILESCCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C25H24N4O2/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30)
InChIKeyNOQXGINUCHHZNK-UHFFFAOYSA-N
XLogP4.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide with MolForge

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Related Compounds

3-[5-(2-Cyclohexylethyl)-4-Ethyl-1,2,4-Triazol-3-Yl]-N-Naphthalen-1-Yl-Propanamide
CID 118704903
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 74222010
3-[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345638
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-2-methyl-N-naphthalen-1-ylpropanamide
CID 121346196
3-[5-(3,3-dimethylbutyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121346198
2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 127033009
3-[5-(cyclohexylmethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 90130850
3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345821
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylbutanamide
CID 121345843
3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide
CID 121346194
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclopentyl}-1H-tetrazol-1-yl)ethyl 1-naphthylcarbamate
CID 2945616
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-3-hydroxy-N-naphthalen-1-ylpropanamide
CID 121345869

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide (CID 127031440) is 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide is CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1.
What is the InChIKey of 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide?
The InChIKey is NOQXGINUCHHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30).
What are the key properties of 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide?
2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide has a molecular weight of 412.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]oxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 127031440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).