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2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide

C16H23NO3 — CID 91637761

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO3/c1-3-11(2)14(10-18)17-16(19)9-12-4-5-15-13(8-12)6-7-20-15/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14-/m1/s1
InChIKeyBPLJIBDENZHXKI-BXUZGUMPSA-N
MW277.36 g/mol
LogP1.69
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide (PubChem CID 91637761) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
PubChem CID91637761
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO3/c1-3-11(2)14(10-18)17-16(19)9-12-4-5-15-13(8-12)6-7-20-15/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14-/m1/s1
InChIKeyBPLJIBDENZHXKI-BXUZGUMPSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide (CID 91637761) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide is CC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The InChIKey is BPLJIBDENZHXKI-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-11(2)14(10-18)17-16(19)9-12-4-5-15-13(8-12)6-7-20-15/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide is sourced from PubChem (CID 91637761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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