N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide

C22H28N2O2 — CID 11024594

IUPACN-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1ccc(N)cc1C(=O)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C22H28N2O2/c1-15(14-22(2,3)4)12-20(25)24-19-11-10-17(23)13-18(19)21(26)16-8-6-5-7-9-16/h5-11,13,15H,12,14,23H2,1-4H3,(H,24,25)
InChIKeyUEXUXBWOZGOMDN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.90
Rot. Bonds6

About N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide

N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide (PubChem CID 11024594) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide
PubChem CID11024594
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)Nc1ccc(N)cc1C(=O)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C22H28N2O2/c1-15(14-22(2,3)4)12-20(25)24-19-11-10-17(23)13-18(19)21(26)16-8-6-5-7-9-16/h5-11,13,15H,12,14,23H2,1-4H3,(H,24,25)
InChIKeyUEXUXBWOZGOMDN-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide (CID 11024594) is N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide is CC(CC(=O)Nc1ccc(N)cc1C(=O)c1ccccc1)CC(C)(C)C.
What is the InChIKey of N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide?
The InChIKey is UEXUXBWOZGOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(14-22(2,3)4)12-20(25)24-19-11-10-17(23)13-18(19)21(26)16-8-6-5-7-9-16/h5-11,13,15H,12,14,23H2,1-4H3,(H,24,25).
What are the key properties of N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide?
N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide has a molecular weight of 352.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 11024594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).