2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide

C15H20F2N2O3 — CID 78809159

IUPAC2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c1-3-18-13(20)10-19(4-2)14(21)9-11-5-7-12(8-6-11)22-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyPKLJHIMAHCREFA-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.82
Rot. Bonds8

About 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 78809159) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID78809159
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c1-3-18-13(20)10-19(4-2)14(21)9-11-5-7-12(8-6-11)22-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyPKLJHIMAHCREFA-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
2-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 38688648
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
CID 119211861
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 78809159) is 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CN(CC)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is PKLJHIMAHCREFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-3-18-13(20)10-19(4-2)14(21)9-11-5-7-12(8-6-11)22-15(16)17/h5-8,15H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 1.82, 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]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 78809159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).