N-tert-butyl-3-methylbutanamide

C9H19NO — CID 528609

IUPACN-tert-butyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)6-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyHVYYGVSVAHMQNI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds2

About N-tert-butyl-3-methylbutanamide

N-tert-butyl-3-methylbutanamide (PubChem CID 528609) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-tert-butyl-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-methylbutanamide
PubChem CID528609
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-tert-butyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7(2)6-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyHVYYGVSVAHMQNI-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylbutanamide?
The IUPAC name of N-tert-butyl-3-methylbutanamide (CID 528609) is N-tert-butyl-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-3-methylbutanamide is CC(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylbutanamide?
The InChIKey is HVYYGVSVAHMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)6-8(11)10-9(3,4)5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of N-tert-butyl-3-methylbutanamide?
N-tert-butyl-3-methylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylbutanamide is sourced from PubChem (CID 528609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).