[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane

C24H50N2O5 — CID 156823920

IUPAC[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane
SMILESCC(C)C(NC(C)(C)C)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNC(C)(C)O.CCC
InChIInChI=1S/C21H42N2O5.C3H8/c1-14(2)16(23-18(3,4)5)17(25)28-20(8,9)13-19(6,7)27-15(24)12-22-21(10,11)26;1-3-2/h14,16,22-23,26H,12-13H2,1-11H3;3H2,1-2H3
InChIKeyPVXHFDYLROWWNM-UHFFFAOYSA-N
MW446.67 g/mol
LogP4.17
Rot. Bonds10

About [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane

[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane (PubChem CID 156823920) has the molecular formula C24H50N2O5 and a molecular weight of 446.67 g/mol. Its IUPAC name is [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane.

Molecular Properties

Compound Name[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane
PubChem CID156823920
Molecular FormulaC24H50N2O5
Molecular Weight446.67 g/mol
Exact Mass446.37
IUPAC Name[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane
SMILESCC(C)C(NC(C)(C)C)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNC(C)(C)O.CCC
InChIInChI=1S/C21H42N2O5.C3H8/c1-14(2)16(23-18(3,4)5)17(25)28-20(8,9)13-19(6,7)27-15(24)12-22-21(10,11)26;1-3-2/h14,16,22-23,26H,12-13H2,1-11H3;3H2,1-2H3
InChIKeyPVXHFDYLROWWNM-UHFFFAOYSA-N
XLogP4.17
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
CID 137495012
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
methyl 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-3-methylbutanoate
CID 114492798
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
tert-butyl (2R)-2-[(2-acetamidoacetyl)amino]-3-methylbutanoate
CID 81003713
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate
CID 170224107
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane?
The IUPAC name of [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane (CID 156823920) is [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane.
What is the SMILES notation for [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane?
The canonical SMILES for [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane is CC(C)C(NC(C)(C)C)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNC(C)(C)O.CCC.
What is the InChIKey of [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane?
The InChIKey is PVXHFDYLROWWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O5.C3H8/c1-14(2)16(23-18(3,4)5)17(25)28-20(8,9)13-19(6,7)27-15(24)12-22-21(10,11)26;1-3-2/h14,16,22-23,26H,12-13H2,1-11H3;3H2,1-2H3.
What are the key properties of [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane?
[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane has a molecular weight of 446.67 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane is sourced from PubChem (CID 156823920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).