2,2-diethyl-3-methylbutanamide

C9H19NO — CID 22178474

IUPAC2,2-diethyl-3-methylbutanamide
SMILESCCC(CC)(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7(3)4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyMMNDQFKJRJWVNE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds4

About 2,2-diethyl-3-methylbutanamide

2,2-diethyl-3-methylbutanamide (PubChem CID 22178474) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-diethyl-3-methylbutanamide.

Molecular Properties

Compound Name2,2-diethyl-3-methylbutanamide
PubChem CID22178474
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-diethyl-3-methylbutanamide
SMILESCCC(CC)(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-9(6-2,7(3)4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyMMNDQFKJRJWVNE-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-methylbutanamide?
The IUPAC name of 2,2-diethyl-3-methylbutanamide (CID 22178474) is 2,2-diethyl-3-methylbutanamide.
What is the SMILES notation for 2,2-diethyl-3-methylbutanamide?
The canonical SMILES for 2,2-diethyl-3-methylbutanamide is CCC(CC)(C(N)=O)C(C)C.
What is the InChIKey of 2,2-diethyl-3-methylbutanamide?
The InChIKey is MMNDQFKJRJWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(6-2,7(3)4)8(10)11/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2,2-diethyl-3-methylbutanamide?
2,2-diethyl-3-methylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-methylbutanamide is sourced from PubChem (CID 22178474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).