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

C19H24F3N3O2 — CID 8709957

IUPAC2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1
InChIInChI=1S/C19H24F3N3O2/c1-3-25(13-7-5-4-6-8-13)17(27)12-24(2)11-16(26)23-15-10-9-14(20)18(21)19(15)22/h7,9-10H,3-6,8,11-12H2,1-2H3,(H,23,26)
InChIKeyRAMRNFUZDFCQHB-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.28
Rot. Bonds7

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

2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8709957) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8709957
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1
InChIInChI=1S/C19H24F3N3O2/c1-3-25(13-7-5-4-6-8-13)17(27)12-24(2)11-16(26)23-15-10-9-14(20)18(21)19(15)22/h7,9-10H,3-6,8,11-12H2,1-2H3,(H,23,26)
InChIKeyRAMRNFUZDFCQHB-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709907
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676470
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665980
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
N-(5-chloro-2-methoxyphenyl)-2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8557807
methyl 4-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]butanoate
CID 78979276
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 78989130

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 8709957) is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCN(C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RAMRNFUZDFCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-3-25(13-7-5-4-6-8-13)17(27)12-24(2)11-16(26)23-15-10-9-14(20)18(21)19(15)22/h7,9-10H,3-6,8,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8709957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).