(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

C26H27N3O6 — CID 58181832

IUPAC(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
SMILESCC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1
InChIInChI=1S/C26H27N3O6/c1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30/h2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32)/t23-,24-/m1/s1
InChIKeyDFFQOADTQUFKSE-DNQXCXABSA-N
MW477.52 g/mol
LogP1.74
Rot. Bonds5

About (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58181832) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
PubChem CID58181832
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
SMILESCC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1
InChIInChI=1S/C26H27N3O6/c1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30/h2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32)/t23-,24-/m1/s1
InChIKeyDFFQOADTQUFKSE-DNQXCXABSA-N
XLogP1.74
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (CID 58181832) is (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is CC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1.
What is the InChIKey of (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is DFFQOADTQUFKSE-DNQXCXABSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30/h2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32)/t23-,24-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58181832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).