N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide

C14H17NO3 — CID 95399009

IUPACN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
SMILESCCN(C(=O)c1coc2ccccc12)[C@@H](C)CO
InChIInChI=1S/C14H17NO3/c1-3-15(10(2)8-16)14(17)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyYQDJRKIVEUZXBH-JTQLQIEISA-N
MW247.29 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide

N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 95399009) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
PubChem CID95399009
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
SMILESCCN(C(=O)c1coc2ccccc12)[C@@H](C)CO
InChIInChI=1S/C14H17NO3/c1-3-15(10(2)8-16)14(17)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyYQDJRKIVEUZXBH-JTQLQIEISA-N
XLogP2.28
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide (CID 95399009) is N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide is CCN(C(=O)c1coc2ccccc12)[C@@H](C)CO.
What is the InChIKey of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is YQDJRKIVEUZXBH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-15(10(2)8-16)14(17)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10,16H,3,8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide?
N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 95399009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).