(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol

C105H121F8N13O28 — CID 158103692

IUPAC(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol
SMILESC.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccc(F)c(C(=O)N3CCOCC3)c2)C1=O.CCc1ccc(N)cc1F.CCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CCc1ccc(NC(=O)[C@H](OC(C)=O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CO.NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F
InChIInChI=1S/C27H29F2N3O7.C25H27F2N3O6.C24H26F2N4O6.C19H21FN2O8.C8H10FN.CH4O.CH4/c1-3-17-4-5-18(14-22(17)29)30-25(34)23(39-16(2)33)24-27(36)32(10-13-38-24)19-6-7-21(28)20(15-19)26(35)31-8-11-37-12-9-31;1-2-15-3-4-16(13-20(15)27)28-23(32)21(31)22-25(34)30(9-12-36-22)17-5-6-19(26)18(14-17)24(33)29-7-10-35-11-8-29;25-18-4-3-16(12-17(18)23(33)29-5-8-35-9-6-29)30-7-10-36-21(24(30)34)20(31)22(32)28-15-2-1-14(13-27)19(26)11-15;1-11(23)30-16(19(26)27)15-18(25)22(6-9-29-15)12-2-3-14(20)13(10-12)17(24)21-4-7-28-8-5-21;1-2-6-3-4-7(10)5-8(6)9;1-2;/h4-7,14-15,23-24H,3,8-13H2,1-2H3,(H,30,34);3-6,13-14,21-22,31H,2,7-12H2,1H3,(H,28,32);1-4,11-12,20-21,31H,5-10,13,27H2,(H,28,32);2-3,10,15-16H,4-9H2,1H3,(H,26,27);3-5H,2,10H2,1H3;2H,1H3;1H4/t23-,24-;21-,22-;20-,21-;15-,16-;;;/m1111.../s1
InChIKeyFPOOQTSSOYDFSD-ZWQPKNSYSA-N
MW2165.17 g/mol
LogP6.92
Rot. Bonds25

About (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol

(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol (PubChem CID 158103692) has the molecular formula C105H121F8N13O28 and a molecular weight of 2165.17 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol
PubChem CID158103692
Molecular FormulaC105H121F8N13O28
Molecular Weight2165.17 g/mol
Exact Mass2163.83
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol
SMILESC.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccc(F)c(C(=O)N3CCOCC3)c2)C1=O.CCc1ccc(N)cc1F.CCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CCc1ccc(NC(=O)[C@H](OC(C)=O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CO.NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F
InChIInChI=1S/C27H29F2N3O7.C25H27F2N3O6.C24H26F2N4O6.C19H21FN2O8.C8H10FN.CH4O.CH4/c1-3-17-4-5-18(14-22(17)29)30-25(34)23(39-16(2)33)24-27(36)32(10-13-38-24)19-6-7-21(28)20(15-19)26(35)31-8-11-37-12-9-31;1-2-15-3-4-16(13-20(15)27)28-23(32)21(31)22-25(34)30(9-12-36-22)17-5-6-19(26)18(14-17)24(33)29-7-10-35-11-8-29;25-18-4-3-16(12-17(18)23(33)29-5-8-35-9-6-29)30-7-10-36-21(24(30)34)20(31)22(32)28-15-2-1-14(13-27)19(26)11-15;1-11(23)30-16(19(26)27)15-18(25)22(6-9-29-15)12-2-3-14(20)13(10-12)17(24)21-4-7-28-8-5-21;1-2-6-3-4-7(10)5-8(6)9;1-2;/h4-7,14-15,23-24H,3,8-13H2,1-2H3,(H,30,34);3-6,13-14,21-22,31H,2,7-12H2,1H3,(H,28,32);1-4,11-12,20-21,31H,5-10,13,27H2,(H,28,32);2-3,10,15-16H,4-9H2,1H3,(H,26,27);3-5H,2,10H2,1H3;2H,1H3;1H4/t23-,24-;21-,22-;20-,21-;15-,16-;;;/m1111.../s1
InChIKeyFPOOQTSSOYDFSD-ZWQPKNSYSA-N
XLogP6.92
TPSA526.25 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002165.17
LogP ≤ 56.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol with MolForge

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Related Compounds

(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
CID 158644312
[1-[4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-2-oxoethyl] acetate
CID 67222080
[1-[4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-2-oxoethyl] acetate
CID 67221993
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
tert-butyl N-[6-[[(2R)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58290778
N-(1-amino-3H-isoindol-5-yl)-2-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 76717115
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 140633327
[1-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[(2-methylpropan-2-yl)oxy]prop-2-enyl] acetate
CID 91354252
[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
CID 67033508
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;[(1R)-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-isocyanoanilino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate;tert-butyl N-[(5-amino-2-isocyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]-2-isocyanophenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;hydrochloride
CID 161313419
(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
[(1R)-2-(3-fluoro-4-isocyanoanilino)-2-oxo-1-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]ethyl] acetate
CID 58181728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol (CID 158103692) is (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol is C.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccc(F)c(C(=O)N3CCOCC3)c2)C1=O.CCc1ccc(N)cc1F.CCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CCc1ccc(NC(=O)[C@H](OC(C)=O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.CO.NCc1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(F)c(C(=O)N4CCOCC4)c3)C2=O)cc1F.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol?
The InChIKey is FPOOQTSSOYDFSD-ZWQPKNSYSA-N. The full InChI is InChI=1S/C27H29F2N3O7.C25H27F2N3O6.C24H26F2N4O6.C19H21FN2O8.C8H10FN.CH4O.CH4/c1-3-17-4-5-18(14-22(17)29)30-25(34)23(39-16(2)33)24-27(36)32(10-13-38-24)19-6-7-21(28)20(15-19)26(35)31-8-11-37-12-9-31;1-2-15-3-4-16(13-20(15)27)28-23(32)21(31)22-25(34)30(9-12-36-22)17-5-6-19(26)18(14-17)24(33)29-7-10-35-11-8-29;25-18-4-3-16(12-17(18)23(33)29-5-8-35-9-6-29)30-7-10-36-21(24(30)34)20(31)22(32)28-15-2-1-14(13-27)19(26)11-15;1-11(23)30-16(19(26)27)15-18(25)22(6-9-29-15)12-2-3-14(20)13(10-12)17(24)21-4-7-28-8-5-21;1-2-6-3-4-7(10)5-8(6)9;1-2;/h4-7,14-15,23-24H,3,8-13H2,1-2H3,(H,30,34);3-6,13-14,21-22,31H,2,7-12H2,1H3,(H,28,32);1-4,11-12,20-21,31H,5-10,13,27H2,(H,28,32);2-3,10,15-16H,4-9H2,1H3,(H,26,27);3-5H,2,10H2,1H3;2H,1H3;1H4/t23-,24-;21-,22-;20-,21-;15-,16-;;;/m1111.../s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol?
(2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol has a molecular weight of 2165.17 g/mol, XLogP of 6.92, 25 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol is sourced from PubChem (CID 158103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).