4-methyl-2-propan-2-ylpentanamide

C9H19NO — CID 20707220

IUPAC4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)CC(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)5-8(7(3)4)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11)
InChIKeyFAEVJUDMYGCAED-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.79
Rot. Bonds4

About 4-methyl-2-propan-2-ylpentanamide

4-methyl-2-propan-2-ylpentanamide (PubChem CID 20707220) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylpentanamide
PubChem CID20707220
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-2-propan-2-ylpentanamide
SMILESCC(C)CC(C(N)=O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)5-8(7(3)4)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11)
InChIKeyFAEVJUDMYGCAED-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylpentanamide?
The IUPAC name of 4-methyl-2-propan-2-ylpentanamide (CID 20707220) is 4-methyl-2-propan-2-ylpentanamide.
What is the SMILES notation for 4-methyl-2-propan-2-ylpentanamide?
The canonical SMILES for 4-methyl-2-propan-2-ylpentanamide is CC(C)CC(C(N)=O)C(C)C.
What is the InChIKey of 4-methyl-2-propan-2-ylpentanamide?
The InChIKey is FAEVJUDMYGCAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)5-8(7(3)4)9(10)11/h6-8H,5H2,1-4H3,(H2,10,11).
What are the key properties of 4-methyl-2-propan-2-ylpentanamide?
4-methyl-2-propan-2-ylpentanamide has a molecular weight of 157.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 20707220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).