N,N'-bis(2-methylpropyl)propanediamide

C11H22N2O2 — CID 5201508

IUPACN,N'-bis(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-12-10(14)5-11(15)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyCZKKDTXEAAWJEV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds6

About N,N'-bis(2-methylpropyl)propanediamide

N,N'-bis(2-methylpropyl)propanediamide (PubChem CID 5201508) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,N'-bis(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methylpropyl)propanediamide
PubChem CID5201508
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN,N'-bis(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-12-10(14)5-11(15)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyCZKKDTXEAAWJEV-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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(2-methylpropyl)propanediamide?
The IUPAC name of N,N'-bis(2-methylpropyl)propanediamide (CID 5201508) is N,N'-bis(2-methylpropyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-methylpropyl)propanediamide?
The canonical SMILES for N,N'-bis(2-methylpropyl)propanediamide is CC(C)CNC(=O)CC(=O)NCC(C)C.
What is the InChIKey of N,N'-bis(2-methylpropyl)propanediamide?
The InChIKey is CZKKDTXEAAWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-12-10(14)5-11(15)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of N,N'-bis(2-methylpropyl)propanediamide?
N,N'-bis(2-methylpropyl)propanediamide has a molecular weight of 214.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylpropyl)propanediamide is sourced from PubChem (CID 5201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).