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

C15H22N2O2 — CID 43310857

IUPAC2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide
SMILESCc1ccc(O)c2c1C(C)CC2NCC(=O)N(C)C
InChIInChI=1S/C15H22N2O2/c1-9-5-6-12(18)15-11(7-10(2)14(9)15)16-8-13(19)17(3)4/h5-6,10-11,16,18H,7-8H2,1-4H3
InChIKeyBNTXCEFZCWGWNF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.93
Rot. Bonds3

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

2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide (PubChem CID 43310857) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide
PubChem CID43310857
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide
SMILESCc1ccc(O)c2c1C(C)CC2NCC(=O)N(C)C
InChIInChI=1S/C15H22N2O2/c1-9-5-6-12(18)15-11(7-10(2)14(9)15)16-8-13(19)17(3)4/h5-6,10-11,16,18H,7-8H2,1-4H3
InChIKeyBNTXCEFZCWGWNF-UHFFFAOYSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
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]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide (CID 43310857) is 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide is Cc1ccc(O)c2c1C(C)CC2NCC(=O)N(C)C.
What is the InChIKey of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide?
The InChIKey is BNTXCEFZCWGWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-5-6-12(18)15-11(7-10(2)14(9)15)16-8-13(19)17(3)4/h5-6,10-11,16,18H,7-8H2,1-4H3.
What are the key properties of 2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide?
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 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]-N,N-dimethylacetamide is sourced from PubChem (CID 43310857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).