2-methyl-3,3,3-triphenylpropanamide

C22H21NO — CID 5228721

IUPAC2-methyl-3,3,3-triphenylpropanamide
SMILESCC(C(N)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(21(23)24)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H2,23,24)
InChIKeyGCQVCMFLBICZFI-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-3,3,3-triphenylpropanamide

2-methyl-3,3,3-triphenylpropanamide (PubChem CID 5228721) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-3,3,3-triphenylpropanamide.

Molecular Properties

Compound Name2-methyl-3,3,3-triphenylpropanamide
PubChem CID5228721
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name2-methyl-3,3,3-triphenylpropanamide
SMILESCC(C(N)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-17(21(23)24)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H2,23,24)
InChIKeyGCQVCMFLBICZFI-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3,3-triphenylpropanamide?
The IUPAC name of 2-methyl-3,3,3-triphenylpropanamide (CID 5228721) is 2-methyl-3,3,3-triphenylpropanamide.
What is the SMILES notation for 2-methyl-3,3,3-triphenylpropanamide?
The canonical SMILES for 2-methyl-3,3,3-triphenylpropanamide is CC(C(N)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-3,3,3-triphenylpropanamide?
The InChIKey is GCQVCMFLBICZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(21(23)24)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H2,23,24).
What are the key properties of 2-methyl-3,3,3-triphenylpropanamide?
2-methyl-3,3,3-triphenylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3,3-triphenylpropanamide is sourced from PubChem (CID 5228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).