2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide

C15H30N2O4 — CID 10733161

IUPAC2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
SMILESCCC(CC)(C(=O)NC(C)(C)CO)C(=O)NC(C)(C)CO
InChIInChI=1S/C15H30N2O4/c1-7-15(8-2,11(20)16-13(3,4)9-18)12(21)17-14(5,6)10-19/h18-19H,7-10H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyPVLTUVWPZZNABJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.57
Rot. Bonds8

About 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide

2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide (PubChem CID 10733161) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide.

Molecular Properties

Compound Name2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
PubChem CID10733161
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
SMILESCCC(CC)(C(=O)NC(C)(C)CO)C(=O)NC(C)(C)CO
InChIInChI=1S/C15H30N2O4/c1-7-15(8-2,11(20)16-13(3,4)9-18)12(21)17-14(5,6)10-19/h18-19H,7-10H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyPVLTUVWPZZNABJ-UHFFFAOYSA-N
XLogP0.57
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.57
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 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The IUPAC name of 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide (CID 10733161) is 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide.
What is the SMILES notation for 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The canonical SMILES for 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide is CCC(CC)(C(=O)NC(C)(C)CO)C(=O)NC(C)(C)CO.
What is the InChIKey of 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The InChIKey is PVLTUVWPZZNABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-7-15(8-2,11(20)16-13(3,4)9-18)12(21)17-14(5,6)10-19/h18-19H,7-10H2,1-6H3,(H,16,20)(H,17,21).
What are the key properties of 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide has a molecular weight of 302.42 g/mol, XLogP of 0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide is sourced from PubChem (CID 10733161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).