3-(tert-butylamino)-4-oxohexanamide

C10H20N2O2 — CID 89253656

IUPAC3-(tert-butylamino)-4-oxohexanamide
SMILESCCC(=O)C(CC(N)=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-5-8(13)7(6-9(11)14)12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,14)
InChIKeyLTISLAHQKTWACS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.60
Rot. Bonds5

About 3-(tert-butylamino)-4-oxohexanamide

3-(tert-butylamino)-4-oxohexanamide (PubChem CID 89253656) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(tert-butylamino)-4-oxohexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-4-oxohexanamide
PubChem CID89253656
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(tert-butylamino)-4-oxohexanamide
SMILESCCC(=O)C(CC(N)=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-5-8(13)7(6-9(11)14)12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,14)
InChIKeyLTISLAHQKTWACS-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
(4R)-4-(tert-butylamino)-6-methylheptan-3-one
CID 88965299
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665
(3R)-3-amino-4-oxohexanamide
CID 139478456
3-(tert-butylamino)pentan-2-one
CID 123205051
2-(propan-2-ylamino)butanediamide
CID 66427979
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
CID 58520717
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-4-oxohexanamide?
The IUPAC name of 3-(tert-butylamino)-4-oxohexanamide (CID 89253656) is 3-(tert-butylamino)-4-oxohexanamide.
What is the SMILES notation for 3-(tert-butylamino)-4-oxohexanamide?
The canonical SMILES for 3-(tert-butylamino)-4-oxohexanamide is CCC(=O)C(CC(N)=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-4-oxohexanamide?
The InChIKey is LTISLAHQKTWACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-8(13)7(6-9(11)14)12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,14).
What are the key properties of 3-(tert-butylamino)-4-oxohexanamide?
3-(tert-butylamino)-4-oxohexanamide has a molecular weight of 200.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-4-oxohexanamide is sourced from PubChem (CID 89253656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).