N-tert-butylpentanamide

C9H19NO — CID 528625

IUPACN-tert-butylpentanamide
SMILESCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-8(11)10-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyFQLFIDDQEJIRBY-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.09
Rot. Bonds3

About N-tert-butylpentanamide

N-tert-butylpentanamide (PubChem CID 528625) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-tert-butylpentanamide.

Molecular Properties

Compound NameN-tert-butylpentanamide
PubChem CID528625
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-tert-butylpentanamide
SMILESCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-8(11)10-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyFQLFIDDQEJIRBY-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpentanamide?
The IUPAC name of N-tert-butylpentanamide (CID 528625) is N-tert-butylpentanamide.
What is the SMILES notation for N-tert-butylpentanamide?
The canonical SMILES for N-tert-butylpentanamide is CCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpentanamide?
The InChIKey is FQLFIDDQEJIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-8(11)10-9(2,3)4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-tert-butylpentanamide?
N-tert-butylpentanamide has a molecular weight of 157.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpentanamide is sourced from PubChem (CID 528625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).