N-tert-butyl-4-hydroxypentanamide

C9H19NO2 — CID 58033976

IUPACN-tert-butyl-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-6-8(12)10-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyLAARFIJQMKXJAF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.06
Rot. Bonds3

About N-tert-butyl-4-hydroxypentanamide

N-tert-butyl-4-hydroxypentanamide (PubChem CID 58033976) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxypentanamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxypentanamide
PubChem CID58033976
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-tert-butyl-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-6-8(12)10-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyLAARFIJQMKXJAF-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-hydroxypentanamide?
The IUPAC name of N-tert-butyl-4-hydroxypentanamide (CID 58033976) is N-tert-butyl-4-hydroxypentanamide.
What is the SMILES notation for N-tert-butyl-4-hydroxypentanamide?
The canonical SMILES for N-tert-butyl-4-hydroxypentanamide is CC(O)CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-hydroxypentanamide?
The InChIKey is LAARFIJQMKXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)5-6-8(12)10-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-tert-butyl-4-hydroxypentanamide?
N-tert-butyl-4-hydroxypentanamide has a molecular weight of 173.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxypentanamide is sourced from PubChem (CID 58033976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).