(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane

C26H53N3O6 — CID 145054755

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane
SMILESCC.CC.CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO.CCC.CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C10H19NO4.C9H14N2O2.C3H8.2C2H6/c1-7(13)4-5-11-9(15)8(14)10(2,3)6-12;1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-3-2;2*1-2/h8,12,14H,4-6H2,1-3H3,(H,11,15);3,10,12-13H,4-5H2,1-2H3;3H2,1-2H3;2*1-2H3/t8-;;;;/m0..../s1
InChIKeyLOOIHMIOGKDKHE-USHJOAKVSA-N
MW503.73 g/mol
LogP3.24
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane (PubChem CID 145054755) has the molecular formula C26H53N3O6 and a molecular weight of 503.73 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane
PubChem CID145054755
Molecular FormulaC26H53N3O6
Molecular Weight503.73 g/mol
Exact Mass503.39
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane
SMILESCC.CC.CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO.CCC.CNCc1c(CO)cnc(C)c1O
InChIInChI=1S/C10H19NO4.C9H14N2O2.C3H8.2C2H6/c1-7(13)4-5-11-9(15)8(14)10(2,3)6-12;1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-3-2;2*1-2/h8,12,14H,4-6H2,1-3H3,(H,11,15);3,10,12-13H,4-5H2,1-2H3;3H2,1-2H3;2*1-2H3/t8-;;;;/m0..../s1
InChIKeyLOOIHMIOGKDKHE-USHJOAKVSA-N
XLogP3.24
TPSA152.01 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 53.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane (CID 145054755) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane is CC.CC.CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO.CCC.CNCc1c(CO)cnc(C)c1O.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane?
The InChIKey is LOOIHMIOGKDKHE-USHJOAKVSA-N. The full InChI is InChI=1S/C10H19NO4.C9H14N2O2.C3H8.2C2H6/c1-7(13)4-5-11-9(15)8(14)10(2,3)6-12;1-6-9(13)8(4-10-2)7(5-12)3-11-6;1-3-2;2*1-2/h8,12,14H,4-6H2,1-3H3,(H,11,15);3,10,12-13H,4-5H2,1-2H3;3H2,1-2H3;2*1-2H3/t8-;;;;/m0..../s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane has a molecular weight of 503.73 g/mol, XLogP of 3.24, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane is sourced from PubChem (CID 145054755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).