2-phenyl-N-(2,2,4-trimethylpentyl)acetamide

C16H25NO — CID 165399012

IUPAC2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
SMILESCC(C)CC(C)(C)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)11-16(3,4)12-17-15(18)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18)
InChIKeyHDPQTBPCBXEDLJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds6

About 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide

2-phenyl-N-(2,2,4-trimethylpentyl)acetamide (PubChem CID 165399012) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
PubChem CID165399012
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
SMILESCC(C)CC(C)(C)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)11-16(3,4)12-17-15(18)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18)
InChIKeyHDPQTBPCBXEDLJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240
N-[2-(2-hydroxypropylamino)-2-methylpropyl]-2-phenylacetamide
CID 173411710
2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480691
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
2-(3-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178729
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
1-(2-benzylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473126
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide?
The IUPAC name of 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide (CID 165399012) is 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide?
The canonical SMILES for 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide is CC(C)CC(C)(C)CNC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide?
The InChIKey is HDPQTBPCBXEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)11-16(3,4)12-17-15(18)10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,17,18).
What are the key properties of 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide?
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide has a molecular weight of 247.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,4-trimethylpentyl)acetamide is sourced from PubChem (CID 165399012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).