N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide

C20H24F2N2O2 — CID 60525094

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H24F2N2O2/c1-14-4-5-15(2)18(12-14)24(3)13-19(25)23-11-10-16-6-8-17(9-7-16)26-20(21)22/h4-9,12,20H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyYIKLXKWTDIHDIL-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.70
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide (PubChem CID 60525094) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
PubChem CID60525094
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
SMILESCc1ccc(C)c(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H24F2N2O2/c1-14-4-5-15(2)18(12-14)24(3)13-19(25)23-11-10-16-6-8-17(9-7-16)26-20(21)22/h4-9,12,20H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyYIKLXKWTDIHDIL-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847365
ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792471
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405530
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8847181
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide (CID 60525094) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide is Cc1ccc(C)c(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide?
The InChIKey is YIKLXKWTDIHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-14-4-5-15(2)18(12-14)24(3)13-19(25)23-11-10-16-6-8-17(9-7-16)26-20(21)22/h4-9,12,20H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide has a molecular weight of 362.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide is sourced from PubChem (CID 60525094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).