1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide

C9H17N3O3 — CID 57164807

IUPAC1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide
SMILESCN(C)C(=O)C(C)(C(N)=O)C(=O)N(C)C
InChIInChI=1S/C9H17N3O3/c1-9(6(10)13,7(14)11(2)3)8(15)12(4)5/h1-5H3,(H2,10,13)
InChIKeyYJFHTXIMBDOXTP-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.35
Rot. Bonds3

About 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide

1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide (PubChem CID 57164807) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide.

Molecular Properties

Compound Name1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide
PubChem CID57164807
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide
SMILESCN(C)C(=O)C(C)(C(N)=O)C(=O)N(C)C
InChIInChI=1S/C9H17N3O3/c1-9(6(10)13,7(14)11(2)3)8(15)12(4)5/h1-5H3,(H2,10,13)
InChIKeyYJFHTXIMBDOXTP-UHFFFAOYSA-N
XLogP-1.35
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide?
The IUPAC name of 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide (CID 57164807) is 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide.
What is the SMILES notation for 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide?
The canonical SMILES for 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide is CN(C)C(=O)C(C)(C(N)=O)C(=O)N(C)C.
What is the InChIKey of 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide?
The InChIKey is YJFHTXIMBDOXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(6(10)13,7(14)11(2)3)8(15)12(4)5/h1-5H3,(H2,10,13).
What are the key properties of 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide?
1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide has a molecular weight of 215.25 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N,1-N-tetramethylethane-1,1,1-tricarboxamide is sourced from PubChem (CID 57164807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).