2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide

C17H34N2O2 — CID 59105475

IUPAC2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-12(2)16(6,7)13(20)18-10-11-19-14(21)17(8,9)15(3,4)5/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21)
InChIKeyNAZLXGKPCHTYGN-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.97
Rot. Bonds6

About 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide

2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide (PubChem CID 59105475) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide
PubChem CID59105475
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-12(2)16(6,7)13(20)18-10-11-19-14(21)17(8,9)15(3,4)5/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21)
InChIKeyNAZLXGKPCHTYGN-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide (CID 59105475) is 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide is CC(C)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide?
The InChIKey is NAZLXGKPCHTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12(2)16(6,7)13(20)18-10-11-19-14(21)17(8,9)15(3,4)5/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21).
What are the key properties of 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide?
2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[2-(2,2,3-trimethylbutanoylamino)ethyl]butanamide is sourced from PubChem (CID 59105475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).