N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide

C14H19NO2 — CID 70556870

IUPACN-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
SMILESCOc1ccc2c(c1)C(C)(C)C(NC(C)=O)C2
InChIInChI=1S/C14H19NO2/c1-9(16)15-13-7-10-5-6-11(17-4)8-12(10)14(13,2)3/h5-6,8,13H,7H2,1-4H3,(H,15,16)
InChIKeyMXHOXLIFPSURTB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds2

About N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide

N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide (PubChem CID 70556870) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
PubChem CID70556870
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
SMILESCOc1ccc2c(c1)C(C)(C)C(NC(C)=O)C2
InChIInChI=1S/C14H19NO2/c1-9(16)15-13-7-10-5-6-11(17-4)8-12(10)14(13,2)3/h5-6,8,13H,7H2,1-4H3,(H,15,16)
InChIKeyMXHOXLIFPSURTB-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide?
The IUPAC name of N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide (CID 70556870) is N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide?
The canonical SMILES for N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide is COc1ccc2c(c1)C(C)(C)C(NC(C)=O)C2.
What is the InChIKey of N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide?
The InChIKey is MXHOXLIFPSURTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(16)15-13-7-10-5-6-11(17-4)8-12(10)14(13,2)3/h5-6,8,13H,7H2,1-4H3,(H,15,16).
What are the key properties of N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide?
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide is sourced from PubChem (CID 70556870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).