(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide

C25H31N3O4 — CID 175728861

IUPAC(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
SMILESCC[C@]1(c2ccccc2)COc2c(C(=O)NC)cc(C(=O)NCC[C@@H]3CNCCO3)cc21
InChIInChI=1S/C25H31N3O4/c1-3-25(18-7-5-4-6-8-18)16-32-22-20(24(30)26-2)13-17(14-21(22)25)23(29)28-10-9-19-15-27-11-12-31-19/h4-8,13-14,19,27H,3,9-12,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19-,25-/m1/s1
InChIKeyZJIGIQAYLPDIJN-KBMIEXCESA-N
MW437.54 g/mol
LogP2.24
Rot. Bonds7

About (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide

(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide (PubChem CID 175728861) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
PubChem CID175728861
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
SMILESCC[C@]1(c2ccccc2)COc2c(C(=O)NC)cc(C(=O)NCC[C@@H]3CNCCO3)cc21
InChIInChI=1S/C25H31N3O4/c1-3-25(18-7-5-4-6-8-18)16-32-22-20(24(30)26-2)13-17(14-21(22)25)23(29)28-10-9-19-15-27-11-12-31-19/h4-8,13-14,19,27H,3,9-12,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19-,25-/m1/s1
InChIKeyZJIGIQAYLPDIJN-KBMIEXCESA-N
XLogP2.24
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopropyl-3-(hydroxymethyl)-7-N-methyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 138534030
methyl (3R)-3-(hydroxymethyl)-7-(methylcarbamoyl)-3-phenyl-2H-1-benzofuran-5-carboxylate
CID 138534037
(3S)-5-N-[3-(5-amino-1,3-dioxan-2-yl)propyl]-7-N,3-dimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 155118863
5-N-(3-hydroxypropyl)-7-N,3-dimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 142553673
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
5-N-[2-[5-(1,3-dioxoisoindol-2-yl)-1,3-dioxan-2-yl]ethyl]-7-N,3-dimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 155100491
1-(3-methyl-3-phenyl-7-propanoyl-2H-1-benzofuran-5-yl)-4-[(2R)-morpholin-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 161444420
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
(2R,3S)-5-N-[2-(4,4-difluoropiperidin-3-yl)ethyl]-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987196
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide (CID 175728861) is (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide is CC[C@]1(c2ccccc2)COc2c(C(=O)NC)cc(C(=O)NCC[C@@H]3CNCCO3)cc21.
What is the InChIKey of (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The InChIKey is ZJIGIQAYLPDIJN-KBMIEXCESA-N. The full InChI is InChI=1S/C25H31N3O4/c1-3-25(18-7-5-4-6-8-18)16-32-22-20(24(30)26-2)13-17(14-21(22)25)23(29)28-10-9-19-15-27-11-12-31-19/h4-8,13-14,19,27H,3,9-12,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19-,25-/m1/s1.
What are the key properties of (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 175728861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).