N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide

C28H33NO — CID 14741654

IUPACN-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(C)(C)c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO/c1-27(2,3)26(30)29-20-28(4,5)24-19-13-12-18-23(24)25(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-19,25H,20H2,1-5H3,(H,29,30)
InChIKeyBRSMMODEYUCLOM-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.31
Rot. Bonds6

About N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide

N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide (PubChem CID 14741654) has the molecular formula C28H33NO and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide
PubChem CID14741654
Molecular FormulaC28H33NO
Molecular Weight399.58 g/mol
Exact Mass399.26
IUPAC NameN-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(C)(C)c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO/c1-27(2,3)26(30)29-20-28(4,5)24-19-13-12-18-23(24)25(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-19,25H,20H2,1-5H3,(H,29,30)
InChIKeyBRSMMODEYUCLOM-UHFFFAOYSA-N
XLogP6.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.31
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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Related Compounds

2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
CID 175366579
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide
CID 119308090
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
2-amino-N-[2-methyl-2-(2-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 119308089
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide (CID 14741654) is N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(C)(C)c1ccccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide?
The InChIKey is BRSMMODEYUCLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO/c1-27(2,3)26(30)29-20-28(4,5)24-19-13-12-18-23(24)25(21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-19,25H,20H2,1-5H3,(H,29,30).
What are the key properties of N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide?
N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide has a molecular weight of 399.58 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 14741654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).