N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C19H23F3N2O3 — CID 56765504

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-8-6-14(7-9-15)16(25)12-24-18(27)17(26)23-11-10-13-4-2-1-3-5-13/h4,6-9,16,25H,1-3,5,10-12H2,(H,23,26)(H,24,27)
InChIKeyAPOHLDHEFHSAFU-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765504) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765504
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-8-6-14(7-9-15)16(25)12-24-18(27)17(26)23-11-10-13-4-2-1-3-5-13/h4,6-9,16,25H,1-3,5,10-12H2,(H,23,26)(H,24,27)
InChIKeyAPOHLDHEFHSAFU-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 124514997
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 56764165
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N-[2-(dimethylamino)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534932
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 56764065
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631838
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535253
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
CID 71791551

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765504) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is APOHLDHEFHSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)15-8-6-14(7-9-15)16(25)12-24-18(27)17(26)23-11-10-13-4-2-1-3-5-13/h4,6-9,16,25H,1-3,5,10-12H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 384.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).