2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide

C13H25NO2 — CID 155348775

IUPAC2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide
SMILESCCC(=O)NC(=O)C(C)(CC)C(C)(C)CC
InChIInChI=1S/C13H25NO2/c1-7-10(15)14-11(16)13(6,9-3)12(4,5)8-2/h7-9H2,1-6H3,(H,14,15,16)
InChIKeyUZFYLPSVGNIOAX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.89
Rot. Bonds5

About 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide

2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide (PubChem CID 155348775) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide
PubChem CID155348775
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide
SMILESCCC(=O)NC(=O)C(C)(CC)C(C)(C)CC
InChIInChI=1S/C13H25NO2/c1-7-10(15)14-11(16)13(6,9-3)12(4,5)8-2/h7-9H2,1-6H3,(H,14,15,16)
InChIKeyUZFYLPSVGNIOAX-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide?
The IUPAC name of 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide (CID 155348775) is 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide.
What is the SMILES notation for 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide?
The canonical SMILES for 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide is CCC(=O)NC(=O)C(C)(CC)C(C)(C)CC.
What is the InChIKey of 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide?
The InChIKey is UZFYLPSVGNIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-10(15)14-11(16)13(6,9-3)12(4,5)8-2/h7-9H2,1-6H3,(H,14,15,16).
What are the key properties of 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide?
2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethyl-N-propanoylpentanamide is sourced from PubChem (CID 155348775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).