2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide

C20H20N4O2 — CID 162648543

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-20(21-17-7-2-1-3-8-17)13-24-12-18(22-23-24)14-26-19-10-9-15-5-4-6-16(15)11-19/h1-3,7-12H,4-6,13-14H2,(H,21,25)
InChIKeyIORIYDNNLMPPJC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide

2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide (PubChem CID 162648543) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
PubChem CID162648543
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-20(21-17-7-2-1-3-8-17)13-24-12-18(22-23-24)14-26-19-10-9-15-5-4-6-16(15)11-19/h1-3,7-12H,4-6,13-14H2,(H,21,25)
InChIKeyIORIYDNNLMPPJC-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 162665699
N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
CID 162642849
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400417
N-phenyl-2-[4-[[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]triazol-1-yl]acetamide
CID 171391927
2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]-N-(3-nitrophenyl)acetamide
CID 171904962
2-[4-[[3-[[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]amino]phenoxy]methyl]triazol-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 57393001
2-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]-N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
CID 72725454
2-[4-[(4-chloro-3-methylphenoxy)methyl]triazol-1-yl]-N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
CID 72725455
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
CID 162656317
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide (CID 162648543) is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide?
The InChIKey is IORIYDNNLMPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(21-17-7-2-1-3-8-17)13-24-12-18(22-23-24)14-26-19-10-9-15-5-4-6-16(15)11-19/h1-3,7-12H,4-6,13-14H2,(H,21,25).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide?
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide has a molecular weight of 348.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 162648543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).