N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C12H13NO3 — CID 16741594

IUPACN,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCN(C)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-13(2)11(14)7-10-8-5-3-4-6-9(8)12(15)16-10/h3-6,10H,7H2,1-2H3
InChIKeyYLNBROBYNUTLHB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.38
Rot. Bonds2

About N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 16741594) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID16741594
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCN(C)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-13(2)11(14)7-10-8-5-3-4-6-9(8)12(15)16-10/h3-6,10H,7H2,1-2H3
InChIKeyYLNBROBYNUTLHB-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 16741594) is N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is CN(C)C(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is YLNBROBYNUTLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13(2)11(14)7-10-8-5-3-4-6-9(8)12(15)16-10/h3-6,10H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 16741594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).