N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide

C11H22N2O4 — CID 21027172

IUPACN'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide
SMILESCC(C)(C)NC(=O)CCC(=O)NCC(O)CO
InChIInChI=1S/C11H22N2O4/c1-11(2,3)13-10(17)5-4-9(16)12-6-8(15)7-14/h8,14-15H,4-7H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyNZABJSXVYALUAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.85
Rot. Bonds6

About N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide

N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide (PubChem CID 21027172) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide
PubChem CID21027172
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide
SMILESCC(C)(C)NC(=O)CCC(=O)NCC(O)CO
InChIInChI=1S/C11H22N2O4/c1-11(2,3)13-10(17)5-4-9(16)12-6-8(15)7-14/h8,14-15H,4-7H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyNZABJSXVYALUAL-UHFFFAOYSA-N
XLogP-0.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide?
The IUPAC name of N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide (CID 21027172) is N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide?
The canonical SMILES for N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide is CC(C)(C)NC(=O)CCC(=O)NCC(O)CO.
What is the InChIKey of N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide?
The InChIKey is NZABJSXVYALUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)13-10(17)5-4-9(16)12-6-8(15)7-14/h8,14-15H,4-7H2,1-3H3,(H,12,16)(H,13,17).
What are the key properties of N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide?
N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide has a molecular weight of 246.31 g/mol, XLogP of -0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,3-dihydroxypropyl)butanediamide is sourced from PubChem (CID 21027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).