(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

C20H20N4O4 — CID 118591047

IUPAC(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3cc(C#N)ccc3N)C2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12-2-5-14(6-3-12)24-8-9-28-18(20(24)27)17(25)19(26)23-16-10-13(11-21)4-7-15(16)22/h2-7,10,17-18,25H,8-9,22H2,1H3,(H,23,26)/t17-,18-/m1/s1
InChIKeyOQYKHJCGCPVPKQ-QZTJIDSGSA-N
MW380.40 g/mol
LogP1.18
Rot. Bonds4

About (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (PubChem CID 118591047) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
PubChem CID118591047
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILESCc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3cc(C#N)ccc3N)C2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12-2-5-14(6-3-12)24-8-9-28-18(20(24)27)17(25)19(26)23-16-10-13(11-21)4-7-15(16)22/h2-7,10,17-18,25H,8-9,22H2,1H3,(H,23,26)/t17-,18-/m1/s1
InChIKeyOQYKHJCGCPVPKQ-QZTJIDSGSA-N
XLogP1.18
TPSA128.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562743
(2R)-N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-[(2-phenylmethoxyacetyl)amino]phenyl]morpholin-2-yl]acetamide
CID 67222541
2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
CID 90717427
(2R)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-hydroxyacetamide
CID 87314869
4-amino-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 104712079
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-(ethylamino)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181485

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (CID 118591047) is (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3cc(C#N)ccc3N)C2=O)cc1.
What is the InChIKey of (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The InChIKey is OQYKHJCGCPVPKQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-2-5-14(6-3-12)24-8-9-28-18(20(24)27)17(25)19(26)23-16-10-13(11-21)4-7-15(16)22/h2-7,10,17-18,25H,8-9,22H2,1H3,(H,23,26)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
(2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-5-cyanophenyl)-2-hydroxy-2-[(2R)-4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 118591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).