N,N-ditert-butylbutanamide

C12H25NO — CID 54425703

IUPACN,N-ditert-butylbutanamide
SMILESCCCC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-8-9-10(14)13(11(2,3)4)12(5,6)7/h8-9H2,1-7H3
InChIKeyOHDORAMKRGZYBL-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.21
Rot. Bonds2

About N,N-ditert-butylbutanamide

N,N-ditert-butylbutanamide (PubChem CID 54425703) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N-ditert-butylbutanamide.

Molecular Properties

Compound NameN,N-ditert-butylbutanamide
PubChem CID54425703
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,N-ditert-butylbutanamide
SMILESCCCC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-8-9-10(14)13(11(2,3)4)12(5,6)7/h8-9H2,1-7H3
InChIKeyOHDORAMKRGZYBL-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butylbutanamide?
The IUPAC name of N,N-ditert-butylbutanamide (CID 54425703) is N,N-ditert-butylbutanamide.
What is the SMILES notation for N,N-ditert-butylbutanamide?
The canonical SMILES for N,N-ditert-butylbutanamide is CCCC(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butylbutanamide?
The InChIKey is OHDORAMKRGZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-8-9-10(14)13(11(2,3)4)12(5,6)7/h8-9H2,1-7H3.
What are the key properties of N,N-ditert-butylbutanamide?
N,N-ditert-butylbutanamide has a molecular weight of 199.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylbutanamide is sourced from PubChem (CID 54425703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).