N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

C23H26N4O6 — CID 140633327

IUPACN-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
SMILESNc1ccc(NC(=O)C(O)[C@H]2OCCN(c3cccc(C(=O)N4CCOCC4)c3)C2=O)cc1
InChIInChI=1S/C23H26N4O6/c24-16-4-6-17(7-5-16)25-21(29)19(28)20-23(31)27(10-13-33-20)18-3-1-2-15(14-18)22(30)26-8-11-32-12-9-26/h1-7,14,19-20,28H,8-13,24H2,(H,25,29)/t19?,20-/m1/s1
InChIKeyQLVJBEOKRMUZIZ-GFOWMXPYSA-N
MW454.48 g/mol
LogP0.47
Rot. Bonds5

About N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide

N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 140633327) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
PubChem CID140633327
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
SMILESNc1ccc(NC(=O)C(O)[C@H]2OCCN(c3cccc(C(=O)N4CCOCC4)c3)C2=O)cc1
InChIInChI=1S/C23H26N4O6/c24-16-4-6-17(7-5-16)25-21(29)19(28)20-23(31)27(10-13-33-20)18-3-1-2-15(14-18)22(30)26-8-11-32-12-9-26/h1-7,14,19-20,28H,8-13,24H2,(H,25,29)/t19?,20-/m1/s1
InChIKeyQLVJBEOKRMUZIZ-GFOWMXPYSA-N
XLogP0.47
TPSA134.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(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-[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)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 50997176
(2R)-N-(3-ethyl-4-isocyanophenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 58290301
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223464
benzyl 1-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]piperidine-4-carboxylate
CID 58290523
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 67221899
2-[[3-[(2R)-2-[(1R)-2-(4-carbamimidoylanilino)-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]-methylamino]acetic acid
CID 58181533
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[3-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181373
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
methyl 2-[[3-[(2R)-2-[(1R)-2-[4-[(aminooxycarbonylamino)methyl]anilino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]-methylamino]acetate
CID 118501201

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide (CID 140633327) is N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide is Nc1ccc(NC(=O)C(O)[C@H]2OCCN(c3cccc(C(=O)N4CCOCC4)c3)C2=O)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?
The InChIKey is QLVJBEOKRMUZIZ-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H26N4O6/c24-16-4-6-17(7-5-16)25-21(29)19(28)20-23(31)27(10-13-33-20)18-3-1-2-15(14-18)22(30)26-8-11-32-12-9-26/h1-7,14,19-20,28H,8-13,24H2,(H,25,29)/t19?,20-/m1/s1.
What are the key properties of N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide?
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 454.48 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 140633327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).