2,2,4,4-tetramethyl-N-propylpentanamide

C12H25NO — CID 144742473

IUPAC2,2,4,4-tetramethyl-N-propylpentanamide
SMILESCCCNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-8-13-10(14)12(5,6)9-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyUQZYXKJGOYQNOF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds4

About 2,2,4,4-tetramethyl-N-propylpentanamide

2,2,4,4-tetramethyl-N-propylpentanamide (PubChem CID 144742473) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-propylpentanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-propylpentanamide
PubChem CID144742473
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2,4,4-tetramethyl-N-propylpentanamide
SMILESCCCNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-8-13-10(14)12(5,6)9-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyUQZYXKJGOYQNOF-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-propylpentanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-propylpentanamide (CID 144742473) is 2,2,4,4-tetramethyl-N-propylpentanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-propylpentanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-propylpentanamide is CCCNC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-propylpentanamide?
The InChIKey is UQZYXKJGOYQNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-8-13-10(14)12(5,6)9-11(2,3)4/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 2,2,4,4-tetramethyl-N-propylpentanamide?
2,2,4,4-tetramethyl-N-propylpentanamide has a molecular weight of 199.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-propylpentanamide is sourced from PubChem (CID 144742473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).