2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide

C13H18N2O2 — CID 16777146

IUPAC2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
SMILESCc1ccc(O)c2c1C(C)CC2NCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-7-3-4-10(16)13-9(15-6-11(14)17)5-8(2)12(7)13/h3-4,8-9,15-16H,5-6H2,1-2H3,(H2,14,17)
InChIKeyQHCKKLMICQJAHD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.32
Rot. Bonds3

About 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide

2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide (PubChem CID 16777146) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
PubChem CID16777146
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
SMILESCc1ccc(O)c2c1C(C)CC2NCC(N)=O
InChIInChI=1S/C13H18N2O2/c1-7-3-4-10(16)13-9(15-6-11(14)17)5-8(2)12(7)13/h3-4,8-9,15-16H,5-6H2,1-2H3,(H2,14,17)
InChIKeyQHCKKLMICQJAHD-UHFFFAOYSA-N
XLogP1.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide (CID 16777146) is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide.
What is the SMILES notation for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The canonical SMILES for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide is Cc1ccc(O)c2c1C(C)CC2NCC(N)=O.
What is the InChIKey of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The InChIKey is QHCKKLMICQJAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7-3-4-10(16)13-9(15-6-11(14)17)5-8(2)12(7)13/h3-4,8-9,15-16H,5-6H2,1-2H3,(H2,14,17).
What are the key properties of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide?
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide is sourced from PubChem (CID 16777146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).