3-methyl-2-propylpentanamide

C9H19NO — CID 44550483

IUPAC3-methyl-2-propylpentanamide
SMILESCCCC(C(N)=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyICMNKCCFRUPZCU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds5

About 3-methyl-2-propylpentanamide

3-methyl-2-propylpentanamide (PubChem CID 44550483) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-2-propylpentanamide.

Molecular Properties

Compound Name3-methyl-2-propylpentanamide
PubChem CID44550483
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-2-propylpentanamide
SMILESCCCC(C(N)=O)C(C)CC
InChIInChI=1S/C9H19NO/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyICMNKCCFRUPZCU-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 3-methyl-2-propylpentanamide?
The IUPAC name of 3-methyl-2-propylpentanamide (CID 44550483) is 3-methyl-2-propylpentanamide.
What is the SMILES notation for 3-methyl-2-propylpentanamide?
The canonical SMILES for 3-methyl-2-propylpentanamide is CCCC(C(N)=O)C(C)CC.
What is the InChIKey of 3-methyl-2-propylpentanamide?
The InChIKey is ICMNKCCFRUPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-8(9(10)11)7(3)5-2/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-methyl-2-propylpentanamide?
3-methyl-2-propylpentanamide has a molecular weight of 157.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylpentanamide is sourced from PubChem (CID 44550483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).