2,2-dimethyl-N-phenacylbutanamide

C14H19NO2 — CID 64991408

IUPAC2,2-dimethyl-N-phenacylbutanamide
SMILESCCC(C)(C)C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-14(2,3)13(17)15-10-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,17)
InChIKeyQCHWUVOZUOFKIS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds5

About 2,2-dimethyl-N-phenacylbutanamide

2,2-dimethyl-N-phenacylbutanamide (PubChem CID 64991408) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenacylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-phenacylbutanamide
PubChem CID64991408
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,2-dimethyl-N-phenacylbutanamide
SMILESCCC(C)(C)C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-14(2,3)13(17)15-10-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,17)
InChIKeyQCHWUVOZUOFKIS-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
CID 22084428
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
3-methyl-N-phenacylpentanamide
CID 114874845
1-phenyl(111C)propan-1-one
CID 11159350
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
3-ethoxy-N-phenacylpropanamide
CID 64991407
2-[[(3E)-penta-1,3-dien-3-yl]amino]-1-phenylethanone
CID 143069328
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenacylbutanamide?
The IUPAC name of 2,2-dimethyl-N-phenacylbutanamide (CID 64991408) is 2,2-dimethyl-N-phenacylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-phenacylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-phenacylbutanamide is CCC(C)(C)C(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-phenacylbutanamide?
The InChIKey is QCHWUVOZUOFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-14(2,3)13(17)15-10-12(16)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-phenacylbutanamide?
2,2-dimethyl-N-phenacylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenacylbutanamide is sourced from PubChem (CID 64991408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).