5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide

C20H28N2O4 — CID 8511292

IUPAC5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c(C)c2c1
InChIInChI=1S/C20H28N2O4/c1-13(2)11-22-7-8-25-16(12-22)10-21-20(23)19-14(3)17-9-15(24-4)5-6-18(17)26-19/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyICISQDCIFUXYHL-INIZCTEOSA-N
MW360.45 g/mol
LogP2.84
Rot. Bonds6

About 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8511292) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8511292
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c(C)c2c1
InChIInChI=1S/C20H28N2O4/c1-13(2)11-22-7-8-25-16(12-22)10-21-20(23)19-14(3)17-9-15(24-4)5-6-18(17)26-19/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyICISQDCIFUXYHL-INIZCTEOSA-N
XLogP2.84
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 8511292) is 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ICISQDCIFUXYHL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13(2)11-22-7-8-25-16(12-22)10-21-20(23)19-14(3)17-9-15(24-4)5-6-18(17)26-19/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8511292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).