N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide

C26H28N2O3 — CID 1248582

IUPACN-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C
InChIInChI=1S/C26H28N2O3/c1-18(2)24(29)28-22-16-15-21(17-23(22)31-4)27-25(30)26(3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3,(H,27,30)(H,28,29)
InChIKeyCJJQDHRSRJCEFC-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.23
Rot. Bonds7

About N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide

N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide (PubChem CID 1248582) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
PubChem CID1248582
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C
InChIInChI=1S/C26H28N2O3/c1-18(2)24(29)28-22-16-15-21(17-23(22)31-4)27-25(30)26(3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3,(H,27,30)(H,28,29)
InChIKeyCJJQDHRSRJCEFC-UHFFFAOYSA-N
XLogP5.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
CID 1298914
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
4-tert-butyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 3775032
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
N-[2-methoxy-4-(3-phenylprop-2-enoylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 3335427
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954499
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide (CID 1248582) is N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide is COc1cc(NC(=O)C(C)(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide?
The InChIKey is CJJQDHRSRJCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)24(29)28-22-16-15-21(17-23(22)31-4)27-25(30)26(3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide?
N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide has a molecular weight of 416.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 1248582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).