2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C15H18N4O2 — CID 64512409

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2/c1-19(8-14-16-10-17-18-14)15(20)9-21-13-6-5-11-3-2-4-12(11)7-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,17,18)
InChIKeyOIRRMCLYZIRNSN-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.33
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64512409) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64512409
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2/c1-19(8-14-16-10-17-18-14)15(20)9-21-13-6-5-11-3-2-4-12(11)7-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,17,18)
InChIKeyOIRRMCLYZIRNSN-UHFFFAOYSA-N
XLogP1.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide with MolForge

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Related Compounds

2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
2-(4-chloro-3-methylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512799
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983438
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
2-(4-carbamothioylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518662
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 112792294
N-methyl-2-(3-nitrophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511055
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511647
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64512409) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is OIRRMCLYZIRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(8-14-16-10-17-18-14)15(20)9-21-13-6-5-11-3-2-4-12(11)7-13/h5-7,10H,2-4,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64512409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).