2-methyl-N-propylpropanamide

C7H15NO — CID 528627

IUPAC2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyFYRBHLFWWSLQGB-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-N-propylpropanamide

2-methyl-N-propylpropanamide (PubChem CID 528627) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-methyl-N-propylpropanamide
PubChem CID528627
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyFYRBHLFWWSLQGB-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propylpropanamide?
The IUPAC name of 2-methyl-N-propylpropanamide (CID 528627) is 2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-methyl-N-propylpropanamide?
The canonical SMILES for 2-methyl-N-propylpropanamide is CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-propylpropanamide?
The InChIKey is FYRBHLFWWSLQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-8-7(9)6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-methyl-N-propylpropanamide?
2-methyl-N-propylpropanamide has a molecular weight of 129.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylpropanamide is sourced from PubChem (CID 528627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).