N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide

C14H17NO3 — CID 70200005

IUPACN-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12
InChIInChI=1S/C14H17NO3/c1-8-12(14(3,4)17)10-6-5-7-11(13(10)18-8)15-9(2)16/h5-7,17H,1-4H3,(H,15,16)
InChIKeyFWHDPGHWPICOLN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.93
Rot. Bonds2

About N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide

N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide (PubChem CID 70200005) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide
PubChem CID70200005
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide
SMILESCC(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12
InChIInChI=1S/C14H17NO3/c1-8-12(14(3,4)17)10-6-5-7-11(13(10)18-8)15-9(2)16/h5-7,17H,1-4H3,(H,15,16)
InChIKeyFWHDPGHWPICOLN-UHFFFAOYSA-N
XLogP2.93
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide?
The IUPAC name of N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide (CID 70200005) is N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide?
The canonical SMILES for N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide is CC(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12.
What is the InChIKey of N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide?
The InChIKey is FWHDPGHWPICOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-12(14(3,4)17)10-6-5-7-11(13(10)18-8)15-9(2)16/h5-7,17H,1-4H3,(H,15,16).
What are the key properties of N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide?
N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide has a molecular weight of 247.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]acetamide is sourced from PubChem (CID 70200005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).