N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide

C14H17NO3 — CID 21082664

IUPACN-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2oc(CO)cc12
InChIInChI=1S/C14H17NO3/c1-14(2,3)13(17)15-11-5-4-6-12-10(11)7-9(8-16)18-12/h4-7,16H,8H2,1-3H3,(H,15,17)
InChIKeyOIJAPXAVIDRGRI-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.91
Rot. Bonds2

About N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide

N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide (PubChem CID 21082664) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
PubChem CID21082664
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2oc(CO)cc12
InChIInChI=1S/C14H17NO3/c1-14(2,3)13(17)15-11-5-4-6-12-10(11)7-9(8-16)18-12/h4-7,16H,8H2,1-3H3,(H,15,17)
InChIKeyOIJAPXAVIDRGRI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
2-(hydroxymethyl)chromen-4-one
CID 12536095
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
N-[2-[2-(2-hydroxyethylamino)phenyl]-4-oxochromen-5-yl]-2,2-dimethylpropanamide
CID 70365223
1-methyl-3-[2-(trifluoromethyl)-1-benzofuran-4-yl]urea
CID 143140690
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide (CID 21082664) is N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2oc(CO)cc12.
What is the InChIKey of N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide?
The InChIKey is OIJAPXAVIDRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,3)13(17)15-11-5-4-6-12-10(11)7-9(8-16)18-12/h4-7,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide?
N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide has a molecular weight of 247.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 21082664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).