N'-(2,4,4-trimethylpentan-2-yl)propanediamide

C11H22N2O2 — CID 88523859

IUPACN'-(2,4,4-trimethylpentan-2-yl)propanediamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CC(N)=O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,5)13-9(15)6-8(12)14/h6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyGJIWSLCAMFTMHL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.19
Rot. Bonds4

About N'-(2,4,4-trimethylpentan-2-yl)propanediamide

N'-(2,4,4-trimethylpentan-2-yl)propanediamide (PubChem CID 88523859) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-(2,4,4-trimethylpentan-2-yl)propanediamide.

Molecular Properties

Compound NameN'-(2,4,4-trimethylpentan-2-yl)propanediamide
PubChem CID88523859
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN'-(2,4,4-trimethylpentan-2-yl)propanediamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CC(N)=O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,5)13-9(15)6-8(12)14/h6-7H2,1-5H3,(H2,12,14)(H,13,15)
InChIKeyGJIWSLCAMFTMHL-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.19
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'-(2,4,4-trimethylpentan-2-yl)propanediamide?
The IUPAC name of N'-(2,4,4-trimethylpentan-2-yl)propanediamide (CID 88523859) is N'-(2,4,4-trimethylpentan-2-yl)propanediamide.
What is the SMILES notation for N'-(2,4,4-trimethylpentan-2-yl)propanediamide?
The canonical SMILES for N'-(2,4,4-trimethylpentan-2-yl)propanediamide is CC(C)(C)CC(C)(C)NC(=O)CC(N)=O.
What is the InChIKey of N'-(2,4,4-trimethylpentan-2-yl)propanediamide?
The InChIKey is GJIWSLCAMFTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)7-11(4,5)13-9(15)6-8(12)14/h6-7H2,1-5H3,(H2,12,14)(H,13,15).
What are the key properties of N'-(2,4,4-trimethylpentan-2-yl)propanediamide?
N'-(2,4,4-trimethylpentan-2-yl)propanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,4-trimethylpentan-2-yl)propanediamide is sourced from PubChem (CID 88523859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).