3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide

C16H31NO2 — CID 58938787

IUPAC3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
SMILESCC(C)(C)CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-14(2,3)10-11(18)17-12(15(4,5)6)13(19)16(7,8)9/h12H,10H2,1-9H3,(H,17,18)
InChIKeyBRTXHJNNQXKGLB-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.57
Rot. Bonds3

About 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide

3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide (PubChem CID 58938787) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
PubChem CID58938787
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
SMILESCC(C)(C)CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-14(2,3)10-11(18)17-12(15(4,5)6)13(19)16(7,8)9/h12H,10H2,1-9H3,(H,17,18)
InChIKeyBRTXHJNNQXKGLB-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,2,5,5-tetramethyl-4-(propan-2-ylamino)hexan-3-one
CID 59750018
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58331813
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938982
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507
(5S)-5-(3,3-dimethylbutanoylamino)-2-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-4-oxo-N-(3-oxobutan-2-yl)heptanamide
CID 59968562
3,3-dimethyl-N-(4-methyl-3-oxopentan-2-yl)butanamide
CID 89004719
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
(2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10686752
2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl cyanide
CID 142180191
cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58938797
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide (CID 58938787) is 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide is CC(C)(C)CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide?
The InChIKey is BRTXHJNNQXKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2,3)10-11(18)17-12(15(4,5)6)13(19)16(7,8)9/h12H,10H2,1-9H3,(H,17,18).
What are the key properties of 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide?
3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide is sourced from PubChem (CID 58938787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).