N-tert-butyl-N,2,2,3,3-pentamethylbutanamide

C13H27NO — CID 171730037

IUPACN-tert-butyl-N,2,2,3,3-pentamethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)13(7,8)10(15)14(9)12(4,5)6/h1-9H3
InChIKeyLUKOQRBCJSGBBQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds1

About N-tert-butyl-N,2,2,3,3-pentamethylbutanamide

N-tert-butyl-N,2,2,3,3-pentamethylbutanamide (PubChem CID 171730037) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-N,2,2,3,3-pentamethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-N,2,2,3,3-pentamethylbutanamide
PubChem CID171730037
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-N,2,2,3,3-pentamethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)13(7,8)10(15)14(9)12(4,5)6/h1-9H3
InChIKeyLUKOQRBCJSGBBQ-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,3,3-Tetramethylbutanamide
CID 520244
1,3,3,4,4-Pentamethylazetidin-2-one
CID 13120090
N,N,2,2,3-pentamethylbutanamide
CID 53784551
N,N,2,2-Tetraethylbutanamide
CID 12732157
N,N,2,2-tetramethylbutanamide
CID 4634915
N,N,2,2,3,3-hexamethylbutanamide
CID 20759366
4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide
CID 58297197
N,N-dibutyl-3,3-dimethylbutanamide
CID 2169365
N,N-diethyl-3,3-dimethylbutanamide
CID 4630303
3,3-Dimethyl-N,N-bis(1-methylethyl)butanamide
CID 58799221
3,3-dimethyl-N,N-dipropylbutanamide
CID 4474843
2,2-dimethyl-N,N-dipropylbutanamide
CID 4474844

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2,2,3,3-pentamethylbutanamide?
The IUPAC name of N-tert-butyl-N,2,2,3,3-pentamethylbutanamide (CID 171730037) is N-tert-butyl-N,2,2,3,3-pentamethylbutanamide.
What is the SMILES notation for N-tert-butyl-N,2,2,3,3-pentamethylbutanamide?
The canonical SMILES for N-tert-butyl-N,2,2,3,3-pentamethylbutanamide is CN(C(=O)C(C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,2,3,3-pentamethylbutanamide?
The InChIKey is LUKOQRBCJSGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)13(7,8)10(15)14(9)12(4,5)6/h1-9H3.
What are the key properties of N-tert-butyl-N,2,2,3,3-pentamethylbutanamide?
N-tert-butyl-N,2,2,3,3-pentamethylbutanamide has a molecular weight of 213.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,2,3,3-pentamethylbutanamide is sourced from PubChem (CID 171730037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).