3-benzyl-2,2-dimethyl-4-phenylbutanamide

C19H23NO — CID 175211278

IUPAC3-benzyl-2,2-dimethyl-4-phenylbutanamide
SMILESCC(C)(C(N)=O)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,18(20)21)17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,20,21)
InChIKeyJVUFKJKWBBLVAC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.60
Rot. Bonds6

About 3-benzyl-2,2-dimethyl-4-phenylbutanamide

3-benzyl-2,2-dimethyl-4-phenylbutanamide (PubChem CID 175211278) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-benzyl-2,2-dimethyl-4-phenylbutanamide.

Molecular Properties

Compound Name3-benzyl-2,2-dimethyl-4-phenylbutanamide
PubChem CID175211278
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-benzyl-2,2-dimethyl-4-phenylbutanamide
SMILESCC(C)(C(N)=O)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,18(20)21)17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,20,21)
InChIKeyJVUFKJKWBBLVAC-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-2,4-diphenylbutanamide
CID 67173479
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
CID 142666314
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,2-dimethyl-4-phenylbutanamide?
The IUPAC name of 3-benzyl-2,2-dimethyl-4-phenylbutanamide (CID 175211278) is 3-benzyl-2,2-dimethyl-4-phenylbutanamide.
What is the SMILES notation for 3-benzyl-2,2-dimethyl-4-phenylbutanamide?
The canonical SMILES for 3-benzyl-2,2-dimethyl-4-phenylbutanamide is CC(C)(C(N)=O)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,2-dimethyl-4-phenylbutanamide?
The InChIKey is JVUFKJKWBBLVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,18(20)21)17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,20,21).
What are the key properties of 3-benzyl-2,2-dimethyl-4-phenylbutanamide?
3-benzyl-2,2-dimethyl-4-phenylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,2-dimethyl-4-phenylbutanamide is sourced from PubChem (CID 175211278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).