(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate

C79H150N14O20 — CID 161391761

IUPAC(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate
SMILESCC(C)CNC(=O)[C@@H](CC(C)C)ON.CC(C)CNC(=O)[C@@H](CC(C)C)ON1C(=O)c2ccccc2C1=O.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)/C=C/CC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)CCCC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CO.NN.O
InChIInChI=1S/C25H48N4O6.C25H46N4O6.C18H24N2O4.C10H22N2O2.CH4O.H4N2.H2O/c2*1-16(2)12-20(24(32)26-14-18(5)6)34-28-22(30)10-9-11-23(31)29-35-21(13-17(3)4)25(33)27-15-19(7)8;1-11(2)9-15(16(21)19-10-12(3)4)24-20-17(22)13-7-5-6-8-14(13)18(20)23;1-7(2)5-9(14-11)10(13)12-6-8(3)4;2*1-2;/h16-21H,9-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);9-10,16-21H,11-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);5-8,11-12,15H,9-10H2,1-4H3,(H,19,21);7-9H,5-6,11H2,1-4H3,(H,12,13);2H,1H3;1-2H2;1H2/b;10-9+;;;;;/t2*20-,21-;15-;9-;;;/m1111.../s1
InChIKeyCHWXXKVVWJKIFP-JZCLRTRRSA-N
MW1616.15 g/mol
LogP6.10
Rot. Bonds48

About (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate

(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate (PubChem CID 161391761) has the molecular formula C79H150N14O20 and a molecular weight of 1616.15 g/mol. Its IUPAC name is (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate.

Molecular Properties

Compound Name(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate
PubChem CID161391761
Molecular FormulaC79H150N14O20
Molecular Weight1616.15 g/mol
Exact Mass1615.12
IUPAC Name(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate
SMILESCC(C)CNC(=O)[C@@H](CC(C)C)ON.CC(C)CNC(=O)[C@@H](CC(C)C)ON1C(=O)c2ccccc2C1=O.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)/C=C/CC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)CCCC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CO.NN.O
InChIInChI=1S/C25H48N4O6.C25H46N4O6.C18H24N2O4.C10H22N2O2.CH4O.H4N2.H2O/c2*1-16(2)12-20(24(32)26-14-18(5)6)34-28-22(30)10-9-11-23(31)29-35-21(13-17(3)4)25(33)27-15-19(7)8;1-11(2)9-15(16(21)19-10-12(3)4)24-20-17(22)13-7-5-6-8-14(13)18(20)23;1-7(2)5-9(14-11)10(13)12-6-8(3)4;2*1-2;/h16-21H,9-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);9-10,16-21H,11-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);5-8,11-12,15H,9-10H2,1-4H3,(H,19,21);7-9H,5-6,11H2,1-4H3,(H,12,13);2H,1H3;1-2H2;1H2/b;10-9+;;;;;/t2*20-,21-;15-;9-;;;/m1111.../s1
InChIKeyCHWXXKVVWJKIFP-JZCLRTRRSA-N
XLogP6.10
TPSA513.55 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds48
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001616.15
LogP ≤ 56.10
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate?
The IUPAC name of (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate (CID 161391761) is (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate.
What is the SMILES notation for (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate?
The canonical SMILES for (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate is CC(C)CNC(=O)[C@@H](CC(C)C)ON.CC(C)CNC(=O)[C@@H](CC(C)C)ON1C(=O)c2ccccc2C1=O.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)/C=C/CC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CC(C)CNC(=O)[C@@H](CC(C)C)ONC(=O)CCCC(=O)NO[C@H](CC(C)C)C(=O)NCC(C)C.CO.NN.O.
What is the InChIKey of (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate?
The InChIKey is CHWXXKVVWJKIFP-JZCLRTRRSA-N. The full InChI is InChI=1S/C25H48N4O6.C25H46N4O6.C18H24N2O4.C10H22N2O2.CH4O.H4N2.H2O/c2*1-16(2)12-20(24(32)26-14-18(5)6)34-28-22(30)10-9-11-23(31)29-35-21(13-17(3)4)25(33)27-15-19(7)8;1-11(2)9-15(16(21)19-10-12(3)4)24-20-17(22)13-7-5-6-8-14(13)18(20)23;1-7(2)5-9(14-11)10(13)12-6-8(3)4;2*1-2;/h16-21H,9-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);9-10,16-21H,11-15H2,1-8H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31);5-8,11-12,15H,9-10H2,1-4H3,(H,19,21);7-9H,5-6,11H2,1-4H3,(H,12,13);2H,1H3;1-2H2;1H2/b;10-9+;;;;;/t2*20-,21-;15-;9-;;;/m1111.../s1.
What are the key properties of (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate?
(2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate has a molecular weight of 1616.15 g/mol, XLogP of 6.10, 48 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminooxy-4-methyl-N-(2-methylpropyl)pentanamide;N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pentanediamide;(E)-N,N'-bis[[(2R)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxy]pent-2-enediamide;(2R)-2-(1,3-dioxoisoindol-2-yl)oxy-4-methyl-N-(2-methylpropyl)pentanamide;hydrazine;methanol;hydrate is sourced from PubChem (CID 161391761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).