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

C24H28N4O4 — CID 46222375

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCOC([C@@H](O)C(=O)Nc3ccc4c(c3)CN=C4N)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/h4-9,12,19-20,29H,10-11,13H2,1-3H3,(H2,25,26)(H,27,30)/t19-,20?/m1/s1
InChIKeyPCFIWZSRJAOFNV-FIWHBWSRSA-N
MW436.51 g/mol
LogP1.93
Rot. Bonds4

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

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 46222375) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID46222375
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESCC(C)(C)c1ccc(N2CCOC([C@@H](O)C(=O)Nc3ccc4c(c3)CN=C4N)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/h4-9,12,19-20,29H,10-11,13H2,1-3H3,(H2,25,26)(H,27,30)/t19-,20?/m1/s1
InChIKeyPCFIWZSRJAOFNV-FIWHBWSRSA-N
XLogP1.93
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58182070
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-(1-methyl-2-oxoquinolin-7-yl)-3-oxomorpholin-2-yl]acetamide
CID 58290388
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-2-yl]acetamide
CID 58181541
N-(1-amino-3H-isoindol-5-yl)-2-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 76717115
methyl 2-[7-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
CID 75598241
2-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 50997352
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[1-(cyclopropylmethyl)-2-oxoquinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290622
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-fluoro-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181441
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
CID 58290285
methyl 2-[2-[2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 75598417
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 67033797

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 46222375) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is CC(C)(C)c1ccc(N2CCOC([C@@H](O)C(=O)Nc3ccc4c(c3)CN=C4N)C2=O)cc1.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is PCFIWZSRJAOFNV-FIWHBWSRSA-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/h4-9,12,19-20,29H,10-11,13H2,1-3H3,(H2,25,26)(H,27,30)/t19-,20?/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 436.51 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 46222375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).