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

C20H28N2O4 — CID 8511285

IUPAC5-methoxy-3-methyl-N-[[(2R)-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-/m1/s1
InChIKeyICISQDCIFUXYHL-MRXNPFEDSA-N
MW360.45 g/mol
LogP2.84
Rot. Bonds6

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

5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8511285) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8511285
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name5-methoxy-3-methyl-N-[[(2R)-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-/m1/s1
InChIKeyICISQDCIFUXYHL-MRXNPFEDSA-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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Related Compounds

5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8504022
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 24642373
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111502603
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
1-[(6-methoxynaphthalen-2-yl)methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369271

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 8511285) is 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[[(2R)-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-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ICISQDCIFUXYHL-MRXNPFEDSA-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-/m1/s1.
What are the key properties of 5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[[(2R)-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-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8511285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).