N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide

C16H23NO2 — CID 64991414

IUPACN-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C)C(=O)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13(18)11-17-14(19)16(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19)
InChIKeyVVHSIVKTMPJZPL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds4

About N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide

N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide (PubChem CID 64991414) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
PubChem CID64991414
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C)C(=O)CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2,3)13(18)11-17-14(19)16(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19)
InChIKeyVVHSIVKTMPJZPL-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide 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

2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
N-[(2-methyl-2-phenylpropanoyl)amino]formamide
CID 71020555
N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
CID 64539763
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide (CID 64991414) is N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide is CC(C)(C)C(=O)CNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide?
The InChIKey is VVHSIVKTMPJZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2,3)13(18)11-17-14(19)16(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide?
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 64991414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).