(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide

C28H26N4O6 — CID 67222541

IUPAC(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide
SMILESN#Cc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(NC(=O)COCc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C28H26N4O6/c29-16-19-6-8-22(9-7-19)31-27(35)25(34)26-28(36)32(14-15-38-26)23-12-10-21(11-13-23)30-24(33)18-37-17-20-4-2-1-3-5-20/h1-13,25-26,34H,14-15,17-18H2,(H,30,33)(H,31,35)/t25-,26-/m1/s1
InChIKeyULPSDRFDKZHSRL-CLJLJLNGSA-N
MW514.54 g/mol
LogP2.44
Rot. Bonds9

About (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide

(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide (PubChem CID 67222541) has the molecular formula C28H26N4O6 and a molecular weight of 514.54 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide
PubChem CID67222541
Molecular FormulaC28H26N4O6
Molecular Weight514.54 g/mol
Exact Mass514.19
IUPAC Name(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide
SMILESN#Cc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(NC(=O)COCc4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C28H26N4O6/c29-16-19-6-8-22(9-7-19)31-27(35)25(34)26-28(36)32(14-15-38-26)23-12-10-21(11-13-23)30-24(33)18-37-17-20-4-2-1-3-5-20/h1-13,25-26,34H,14-15,17-18H2,(H,30,33)(H,31,35)/t25-,26-/m1/s1
InChIKeyULPSDRFDKZHSRL-CLJLJLNGSA-N
XLogP2.44
TPSA140.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
CID 140562888
(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 118591047
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562743
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[4-(hydroxymethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 67222073
(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-phenylmethoxyethyl)phenyl]morpholin-2-yl]acetic acid
CID 67223561
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
CID 90717427
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 140562852
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide (CID 67222541) is (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide is N#Cc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(NC(=O)COCc4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide?
The InChIKey is ULPSDRFDKZHSRL-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H26N4O6/c29-16-19-6-8-22(9-7-19)31-27(35)25(34)26-28(36)32(14-15-38-26)23-12-10-21(11-13-23)30-24(33)18-37-17-20-4-2-1-3-5-20/h1-13,25-26,34H,14-15,17-18H2,(H,30,33)(H,31,35)/t25-,26-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide?
(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide has a molecular weight of 514.54 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 67222541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).