N-ethyl-4,4-dimethyl-2-propoxypentanamide

C12H25NO2 — CID 89093041

IUPACN-ethyl-4,4-dimethyl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NCC
InChIInChI=1S/C12H25NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyTZBGZRSLQWCIBA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-4,4-dimethyl-2-propoxypentanamide

N-ethyl-4,4-dimethyl-2-propoxypentanamide (PubChem CID 89093041) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-propoxypentanamide
PubChem CID89093041
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-4,4-dimethyl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NCC
InChIInChI=1S/C12H25NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyTZBGZRSLQWCIBA-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 N-ethyl-4,4-dimethyl-2-propoxypentanamide?
The IUPAC name of N-ethyl-4,4-dimethyl-2-propoxypentanamide (CID 89093041) is N-ethyl-4,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-propoxypentanamide is CCCOC(CC(C)(C)C)C(=O)NCC.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-propoxypentanamide?
The InChIKey is TZBGZRSLQWCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-15-10(9-12(3,4)5)11(14)13-7-2/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-ethyl-4,4-dimethyl-2-propoxypentanamide?
N-ethyl-4,4-dimethyl-2-propoxypentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 89093041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).