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

C22H24N4O2 — CID 162665699

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(COc3ccc4c(c3)CCC4)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-16-6-9-19(10-7-16)23-22(27)14-26-13-20(24-25-26)15-28-21-11-8-17-4-3-5-18(17)12-21/h6-13H,2-5,14-15H2,1H3,(H,23,27)
InChIKeyTWVVABVXHMXNHQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.55
Rot. Bonds7

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

2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 162665699) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID162665699
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(COc3ccc4c(c3)CCC4)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-16-6-9-19(10-7-16)23-22(27)14-26-13-20(24-25-26)15-28-21-11-8-17-4-3-5-18(17)12-21/h6-13H,2-5,14-15H2,1H3,(H,23,27)
InChIKeyTWVVABVXHMXNHQ-UHFFFAOYSA-N
XLogP3.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.55
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-phenylacetamide
CID 162648543
N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
CID 162642849
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400417
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459045
N-(4-methoxyphenyl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126011669
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
2-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698661
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide (CID 162665699) is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2cc(COc3ccc4c(c3)CCC4)nn2)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is TWVVABVXHMXNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-16-6-9-19(10-7-16)23-22(27)14-26-13-20(24-25-26)15-28-21-11-8-17-4-3-5-18(17)12-21/h6-13H,2-5,14-15H2,1H3,(H,23,27).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide?
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.55, 7 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 162665699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).