N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

C13H17NO2 — CID 91631256

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(C)=O)Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-10(15)14-9-13(16-2)7-11-5-3-4-6-12(11)8-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyAYYHZSUVXYTECA-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.31
Rot. Bonds3

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (PubChem CID 91631256) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
PubChem CID91631256
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(C)=O)Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-10(15)14-9-13(16-2)7-11-5-3-4-6-12(11)8-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyAYYHZSUVXYTECA-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (CID 91631256) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is COC1(CNC(C)=O)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The InChIKey is AYYHZSUVXYTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(15)14-9-13(16-2)7-11-5-3-4-6-12(11)8-13/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is sourced from PubChem (CID 91631256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).