N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C23H26N2O5 — CID 9465413

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)C[C@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O5/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)15-24-22(26)14-21-18-4-2-3-5-19(18)23(27)30-21/h2-9,20-21H,10-15H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyKLHREPANEIQWPG-NHCUHLMSSA-N
MW410.47 g/mol
LogP2.49
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 9465413) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID9465413
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)C[C@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1
InChIInChI=1S/C23H26N2O5/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)15-24-22(26)14-21-18-4-2-3-5-19(18)23(27)30-21/h2-9,20-21H,10-15H2,1H3,(H,24,26)/t20-,21-/m1/s1
InChIKeyKLHREPANEIQWPG-NHCUHLMSSA-N
XLogP2.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829777
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 18161642

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 9465413) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is COc1ccc([C@@H](CNC(=O)C[C@H]2OC(=O)c3ccccc32)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is KLHREPANEIQWPG-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)15-24-22(26)14-21-18-4-2-3-5-19(18)23(27)30-21/h2-9,20-21H,10-15H2,1H3,(H,24,26)/t20-,21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 9465413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).