2-tert-butylpentanamide

C9H19NO — CID 44550484

IUPAC2-tert-butylpentanamide
SMILESCCCC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7(8(10)11)9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyRDHVCIZXKXYKOE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds3

About 2-tert-butylpentanamide

2-tert-butylpentanamide (PubChem CID 44550484) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-tert-butylpentanamide.

Molecular Properties

Compound Name2-tert-butylpentanamide
PubChem CID44550484
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-tert-butylpentanamide
SMILESCCCC(C(N)=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7(8(10)11)9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11)
InChIKeyRDHVCIZXKXYKOE-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-tert-butylpentanamide?
The IUPAC name of 2-tert-butylpentanamide (CID 44550484) is 2-tert-butylpentanamide.
What is the SMILES notation for 2-tert-butylpentanamide?
The canonical SMILES for 2-tert-butylpentanamide is CCCC(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylpentanamide?
The InChIKey is RDHVCIZXKXYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7(8(10)11)9(2,3)4/h7H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-tert-butylpentanamide?
2-tert-butylpentanamide has a molecular weight of 157.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpentanamide is sourced from PubChem (CID 44550484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).