N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide

C13H26N2O4 — CID 2911778

IUPACN,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
SMILESCC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C
InChIInChI=1S/C13H26N2O4/c1-8(2)10(6-16)14-12(18)5-13(19)15-11(7-17)9(3)4/h8-11,16-17H,5-7H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyVRIBIWUAFKVNNW-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.36
Rot. Bonds8

About N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide

N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide (PubChem CID 2911778) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
PubChem CID2911778
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
SMILESCC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C
InChIInChI=1S/C13H26N2O4/c1-8(2)10(6-16)14-12(18)5-13(19)15-11(7-17)9(3)4/h8-11,16-17H,5-7H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyVRIBIWUAFKVNNW-UHFFFAOYSA-N
XLogP-0.36
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide (CID 2911778) is N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide is CC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C.
What is the InChIKey of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide?
The InChIKey is VRIBIWUAFKVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-8(2)10(6-16)14-12(18)5-13(19)15-11(7-17)9(3)4/h8-11,16-17H,5-7H2,1-4H3,(H,14,18)(H,15,19).
What are the key properties of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide?
N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide has a molecular weight of 274.36 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide is sourced from PubChem (CID 2911778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).