(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide

C23H29NO3 — CID 92758001

IUPAC(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1
InChIInChI=1S/C23H29NO3/c1-3-5-9-17(4-2)23(25)24-16-21-15-18-14-20(12-13-22(18)27-21)26-19-10-7-6-8-11-19/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3,(H,24,25)/t17-,21+/m1/s1
InChIKeyKHZKQTNPDZPRQR-UTKZUKDTSA-N
MW367.49 g/mol
LogP5.11
Rot. Bonds9

About (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide

(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide (PubChem CID 92758001) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide
PubChem CID92758001
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1
InChIInChI=1S/C23H29NO3/c1-3-5-9-17(4-2)23(25)24-16-21-15-18-14-20(12-13-22(18)27-21)26-19-10-7-6-8-11-19/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3,(H,24,25)/t17-,21+/m1/s1
InChIKeyKHZKQTNPDZPRQR-UTKZUKDTSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide?
The IUPAC name of (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide (CID 92758001) is (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide is CCCC[C@@H](CC)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1.
What is the InChIKey of (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide?
The InChIKey is KHZKQTNPDZPRQR-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-5-9-17(4-2)23(25)24-16-21-15-18-14-20(12-13-22(18)27-21)26-19-10-7-6-8-11-19/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3,(H,24,25)/t17-,21+/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide?
(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide has a molecular weight of 367.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide is sourced from PubChem (CID 92758001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).