2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide

C21H26F2N2O3 — CID 46632198

IUPAC2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc(CN(C)C(C)C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F
InChIInChI=1S/C21H26F2N2O3/c1-13-6-8-17(14(2)10-13)24-20(26)15(3)25(4)12-16-7-9-18(28-21(22)23)19(11-16)27-5/h6-11,15,21H,12H2,1-5H3,(H,24,26)
InChIKeyFIUUEJGCCAKOSA-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.37
Rot. Bonds8

About 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 46632198) has the molecular formula C21H26F2N2O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID46632198
Molecular FormulaC21H26F2N2O3
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc(CN(C)C(C)C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F
InChIInChI=1S/C21H26F2N2O3/c1-13-6-8-17(14(2)10-13)24-20(26)15(3)25(4)12-16-7-9-18(28-21(22)23)19(11-16)27-5/h6-11,15,21H,12H2,1-5H3,(H,24,26)
InChIKeyFIUUEJGCCAKOSA-UHFFFAOYSA-N
XLogP4.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46405979
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46632237
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 55524825
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9432531
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide (CID 46632198) is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide is COc1cc(CN(C)C(C)C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is FIUUEJGCCAKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O3/c1-13-6-8-17(14(2)10-13)24-20(26)15(3)25(4)12-16-7-9-18(28-21(22)23)19(11-16)27-5/h6-11,15,21H,12H2,1-5H3,(H,24,26).
What are the key properties of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide?
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 392.45 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 46632198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).