2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide

C12H24N2O3 — CID 13009116

IUPAC2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CC(O)C(=O)NCC(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-13-11(16)5-10(15)12(17)14-7-9(3)4/h8-10,15H,5-7H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyUWGRWSCITKTCQM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds7

About 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide

2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide (PubChem CID 13009116) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide
PubChem CID13009116
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide
SMILESCC(C)CNC(=O)CC(O)C(=O)NCC(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-13-11(16)5-10(15)12(17)14-7-9(3)4/h8-10,15H,5-7H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyUWGRWSCITKTCQM-UHFFFAOYSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide?
The IUPAC name of 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide (CID 13009116) is 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide.
What is the SMILES notation for 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide?
The canonical SMILES for 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide is CC(C)CNC(=O)CC(O)C(=O)NCC(C)C.
What is the InChIKey of 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide?
The InChIKey is UWGRWSCITKTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)6-13-11(16)5-10(15)12(17)14-7-9(3)4/h8-10,15H,5-7H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide?
2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N'-bis(2-methylpropyl)butanediamide is sourced from PubChem (CID 13009116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).