2-tert-butyl-N-ethyl-4,4-dimethylpentanamide

C13H27NO — CID 88561290

IUPAC2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-8-14-11(15)10(13(5,6)7)9-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyFFRSVJIWTUWNMI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.22
Rot. Bonds3

About 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide

2-tert-butyl-N-ethyl-4,4-dimethylpentanamide (PubChem CID 88561290) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
PubChem CID88561290
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
SMILESCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-8-14-11(15)10(13(5,6)7)9-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyFFRSVJIWTUWNMI-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
2-chloro-N-ethyl-4,4-dimethylpentanamide
CID 62966359
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
[2-[(2-tert-butyl-4,4-dimethylpentanoyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
CID 129124769
N-[2-[(2-aminoacetyl)amino]propyl]-2-tert-butyl-4,4-dimethylpentanamide
CID 171106748
[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-λ2-stannane
CID 174942206
N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
CID 142069117
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide (CID 88561290) is 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide is CCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide?
The InChIKey is FFRSVJIWTUWNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-8-14-11(15)10(13(5,6)7)9-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15).
What are the key properties of 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide?
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-4,4-dimethylpentanamide is sourced from PubChem (CID 88561290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).