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

C18H24N4O — CID 72890558

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
SMILESCc1nc(C)n(CCCNC(=O)CC2CCc3ccccc32)n1
InChIInChI=1S/C18H24N4O/c1-13-20-14(2)22(21-13)11-5-10-19-18(23)12-16-9-8-15-6-3-4-7-17(15)16/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,19,23)
InChIKeyVPONPJYCWSUNMP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.52
Rot. Bonds6

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

2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 72890558) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID72890558
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
SMILESCc1nc(C)n(CCCNC(=O)CC2CCc3ccccc32)n1
InChIInChI=1S/C18H24N4O/c1-13-20-14(2)22(21-13)11-5-10-19-18(23)12-16-9-8-15-6-3-4-7-17(15)16/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,19,23)
InChIKeyVPONPJYCWSUNMP-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide (CID 72890558) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide is Cc1nc(C)n(CCCNC(=O)CC2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is VPONPJYCWSUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-20-14(2)22(21-13)11-5-10-19-18(23)12-16-9-8-15-6-3-4-7-17(15)16/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.52, 6 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-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 72890558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).