N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C21H23F3N2O4 — CID 108529772

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC
InChIInChI=1S/C21H23F3N2O4/c1-3-29-17-10-5-14(13-18(17)30-4-2)11-12-25-19(27)20(28)26-16-8-6-15(7-9-16)21(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAOVBKTCHHCDNPF-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.80
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108529772) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108529772
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC
InChIInChI=1S/C21H23F3N2O4/c1-3-29-17-10-5-14(13-18(17)30-4-2)11-12-25-19(27)20(28)26-16-8-6-15(7-9-16)21(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAOVBKTCHHCDNPF-UHFFFAOYSA-N
XLogP3.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide
CID 108528317
[4-[[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527792
1-[(3,4-diethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100667421
N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 86812675
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 47984901
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 40903482

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 108529772) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is CCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is AOVBKTCHHCDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4/c1-3-29-17-10-5-14(13-18(17)30-4-2)11-12-25-19(27)20(28)26-16-8-6-15(7-9-16)21(22,23)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 424.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108529772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).