2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H26F2N2O2 — CID 9024007

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H26F2N2O2/c1-14(2)18-7-5-6-15(3)20(18)24-19(26)13-25(4)12-16-8-10-17(11-9-16)27-21(22)23/h5-11,14,21H,12-13H2,1-4H3,(H,24,26)
InChIKeyYSNAHZRDZITRAM-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.79
Rot. Bonds8

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 9024007) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID9024007
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H26F2N2O2/c1-14(2)18-7-5-6-15(3)20(18)24-19(26)13-25(4)12-16-8-10-17(11-9-16)27-21(22)23/h5-11,14,21H,12-13H2,1-4H3,(H,24,26)
InChIKeyYSNAHZRDZITRAM-UHFFFAOYSA-N
XLogP4.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996930
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 86987050
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 9024007) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is YSNAHZRDZITRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-14(2)18-7-5-6-15(3)20(18)24-19(26)13-25(4)12-16-8-10-17(11-9-16)27-21(22)23/h5-11,14,21H,12-13H2,1-4H3,(H,24,26).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 376.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9024007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).