2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C20H26F3N3O3 — CID 8709907

IUPAC2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1
InChIInChI=1S/C20H26F3N3O3/c1-25(12-17(27)24-16-9-8-15(21)19(22)20(16)23)13-18(28)26(10-11-29-2)14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-13H2,1-2H3,(H,24,27)
InChIKeyAYNAADAVIDSRLU-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.91
Rot. Bonds9

About 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8709907) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8709907
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOCCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1
InChIInChI=1S/C20H26F3N3O3/c1-25(12-17(27)24-16-9-8-15(21)19(22)20(16)23)13-18(28)26(10-11-29-2)14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-13H2,1-2H3,(H,24,27)
InChIKeyAYNAADAVIDSRLU-UHFFFAOYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709957
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913710
N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8557807
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676470
2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622078
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709895
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 8709907) is 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is COCCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is AYNAADAVIDSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-25(12-17(27)24-16-9-8-15(21)19(22)20(16)23)13-18(28)26(10-11-29-2)14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-13H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 413.44 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8709907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).