N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C16H20N4O2 — CID 47064726

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCOc1ccc2c(c1)CCC2)n1cncn1
InChIInChI=1S/C16H20N4O2/c1-12(20-11-17-10-19-20)16(21)18-7-8-22-15-6-5-13-3-2-4-14(13)9-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeySKRGACXPXUJSNQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47064726) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID47064726
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCOc1ccc2c(c1)CCC2)n1cncn1
InChIInChI=1S/C16H20N4O2/c1-12(20-11-17-10-19-20)16(21)18-7-8-22-15-6-5-13-3-2-4-14(13)9-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeySKRGACXPXUJSNQ-UHFFFAOYSA-N
XLogP1.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 47064726) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCOc1ccc2c(c1)CCC2)n1cncn1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SKRGACXPXUJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(20-11-17-10-19-20)16(21)18-7-8-22-15-6-5-13-3-2-4-14(13)9-15/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47064726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).