2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide

C12H25NO2 — CID 21366325

IUPAC2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C12H25NO2/c1-7-15-10(8-12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyKKBUZLAAYDLEMF-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds5

About 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide

2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide (PubChem CID 21366325) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide
PubChem CID21366325
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C12H25NO2/c1-7-15-10(8-12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyKKBUZLAAYDLEMF-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide (CID 21366325) is 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide is CCOC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is KKBUZLAAYDLEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-15-10(8-12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide?
2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 21366325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).