N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide

C18H19NO4 — CID 92757032

IUPACN-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
SMILESCOc1ccc2c(c1)C[C@@H](CNC(=O)COc1ccccc1)O2
InChIInChI=1S/C18H19NO4/c1-21-15-7-8-17-13(9-15)10-16(23-17)11-19-18(20)12-22-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyKYALWHOURLSSPN-INIZCTEOSA-N
MW313.35 g/mol
LogP2.19
Rot. Bonds6

About N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide

N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 92757032) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
PubChem CID92757032
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
SMILESCOc1ccc2c(c1)C[C@@H](CNC(=O)COc1ccccc1)O2
InChIInChI=1S/C18H19NO4/c1-21-15-7-8-17-13(9-15)10-16(23-17)11-19-18(20)12-22-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyKYALWHOURLSSPN-INIZCTEOSA-N
XLogP2.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide (CID 92757032) is N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide is COc1ccc2c(c1)C[C@@H](CNC(=O)COc1ccccc1)O2.
What is the InChIKey of N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is KYALWHOURLSSPN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-7-8-17-13(9-15)10-16(23-17)11-19-18(20)12-22-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide?
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 313.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 92757032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).