N-ethyl-N,3,3-trimethylbutanamide

C9H19NO — CID 89107590

IUPACN-ethyl-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-10(5)8(11)7-9(2,3)4/h6-7H2,1-5H3
InChIKeyDGOJCLIREGRANL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds2

About N-ethyl-N,3,3-trimethylbutanamide

N-ethyl-N,3,3-trimethylbutanamide (PubChem CID 89107590) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-ethyl-N,3,3-trimethylbutanamide
PubChem CID89107590
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C9H19NO/c1-6-10(5)8(11)7-9(2,3)4/h6-7H2,1-5H3
InChIKeyDGOJCLIREGRANL-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-ethyl-N-hydroxy-3,3-dimethylbutanamide
CID 123423819
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604773
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
N-ethyl-N,2,2,4,4-pentamethylpentanamide
CID 149411745
N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
CID 126990968
N-cyano-N,3,3-trimethylbutanamide
CID 130684370
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
CID 104920863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,3-trimethylbutanamide?
The IUPAC name of N-ethyl-N,3,3-trimethylbutanamide (CID 89107590) is N-ethyl-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-ethyl-N,3,3-trimethylbutanamide?
The canonical SMILES for N-ethyl-N,3,3-trimethylbutanamide is CCN(C)C(=O)CC(C)(C)C.
What is the InChIKey of N-ethyl-N,3,3-trimethylbutanamide?
The InChIKey is DGOJCLIREGRANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-10(5)8(11)7-9(2,3)4/h6-7H2,1-5H3.
What are the key properties of N-ethyl-N,3,3-trimethylbutanamide?
N-ethyl-N,3,3-trimethylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,3-trimethylbutanamide is sourced from PubChem (CID 89107590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).