3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide

C14H26N2O2 — CID 58331760

IUPAC3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide
SMILESCCNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-5-15-13(18)12(17)11(16-14(2,3)4)9-10-7-6-8-10/h10-11,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyBKBRBPYCCYDKLA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.64
Rot. Bonds6

About 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide

3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide (PubChem CID 58331760) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide
PubChem CID58331760
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide
SMILESCCNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-5-15-13(18)12(17)11(16-14(2,3)4)9-10-7-6-8-10/h10-11,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyBKBRBPYCCYDKLA-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 161234197
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123
3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
CID 58331756
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
4-cyclobutyl-2-oxo-3-(phosphanylamino)butanamide
CID 59655546
2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 22972943
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-propylbutanediamide
CID 71148531
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
2-(1-cyclobutylpropan-2-ylamino)-N-ethylacetamide
CID 115707078
1-(3-bicyclo[3.2.2]nonanyl)-2-(tert-butylamino)-4,4-dimethylpentan-3-one;methane
CID 159782488
methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide?
The IUPAC name of 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide (CID 58331760) is 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide.
What is the SMILES notation for 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide?
The canonical SMILES for 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide is CCNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide?
The InChIKey is BKBRBPYCCYDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-15-13(18)12(17)11(16-14(2,3)4)9-10-7-6-8-10/h10-11,16H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide?
3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide has a molecular weight of 254.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-4-cyclobutyl-N-ethyl-2-oxobutanamide is sourced from PubChem (CID 58331760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).