N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide

C16H21F3N2O3 — CID 111566922

IUPACN-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H21F3N2O3/c1-4-15(24,5-2)9-20-13(22)14(23)21-12-8-11(16(17,18)19)7-6-10(12)3/h6-8,24H,4-5,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJSCUMHPKQIKUOG-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.62
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide

N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide (PubChem CID 111566922) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
PubChem CID111566922
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H21F3N2O3/c1-4-15(24,5-2)9-20-13(22)14(23)21-12-8-11(16(17,18)19)7-6-10(12)3/h6-8,24H,4-5,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJSCUMHPKQIKUOG-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 48894809
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566950
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-cyano-2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 114291644
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide (CID 111566922) is N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The InChIKey is JSCUMHPKQIKUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-4-15(24,5-2)9-20-13(22)14(23)21-12-8-11(16(17,18)19)7-6-10(12)3/h6-8,24H,4-5,9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide has a molecular weight of 346.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 111566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).