(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide

C13H26N2O2 — CID 176616493

IUPAC(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
SMILESCN([C@@H](CC(N)=O)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)11(17)9(8-10(14)16)15(7)13(4,5)6/h9H,8H2,1-7H3,(H2,14,16)/t9-/m0/s1
InChIKeyGFSPOTCVEKDFOC-VIFPVBQESA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds4

About (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide

(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide (PubChem CID 176616493) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
PubChem CID176616493
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
SMILESCN([C@@H](CC(N)=O)C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)11(17)9(8-10(14)16)15(7)13(4,5)6/h9H,8H2,1-7H3,(H2,14,16)/t9-/m0/s1
InChIKeyGFSPOTCVEKDFOC-VIFPVBQESA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 138500128
(2S)-4-amino-2-[carboxy(methyl)amino]-4-oxobutanoic acid
CID 175100388
N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
CID 170179650
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
CID 59668998
3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide
CID 142005602
2-[ethyl(hydroxy)amino]butanediamide
CID 87074702
(3R)-4-amino-3-hydroxy-4-methylpentanamide
CID 809792
(2R)-2-tert-butylbutanediamide
CID 22864144
4-amino-3-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 66429453
3-methylbutanamide
CID 87933309

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide (CID 176616493) is (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide is CN([C@@H](CC(N)=O)C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide?
The InChIKey is GFSPOTCVEKDFOC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)11(17)9(8-10(14)16)15(7)13(4,5)6/h9H,8H2,1-7H3,(H2,14,16)/t9-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide?
(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 176616493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).