(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C24H28N4O4 — CID 123574337

IUPAC(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)[nH]cc4c3)C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,3)15-4-7-17(8-5-15)28-10-11-32-20(23(28)31)19(29)22(30)27-16-6-9-18-14(12-16)13-26-21(18)25/h4-9,12-13,19-20,26,29H,10-11,25H2,1-3H3,(H,27,30)/t19-,20-/m1/s1
InChIKeySODRLEVRWIKHLE-WOJBJXKFSA-N
MW436.51 g/mol
LogP2.78
Rot. Bonds4

About (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 123574337) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID123574337
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)[nH]cc4c3)C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-24(2,3)15-4-7-17(8-5-15)28-10-11-32-20(23(28)31)19(29)22(30)27-16-6-9-18-14(12-16)13-26-21(18)25/h4-9,12-13,19-20,26,29H,10-11,25H2,1-3H3,(H,27,30)/t19-,20-/m1/s1
InChIKeySODRLEVRWIKHLE-WOJBJXKFSA-N
XLogP2.78
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
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(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123292220
(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-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3R)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123243136
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
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CID 140562830
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
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(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67032365

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 123574337) is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is CC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)[nH]cc4c3)C2=O)cc1.
What is the InChIKey of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is SODRLEVRWIKHLE-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2,3)15-4-7-17(8-5-15)28-10-11-32-20(23(28)31)19(29)22(30)27-16-6-9-18-14(12-16)13-26-21(18)25/h4-9,12-13,19-20,26,29H,10-11,25H2,1-3H3,(H,27,30)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 436.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 123574337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).