N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide

C19H27FN2O3 — CID 86888697

IUPACN'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCCOc1cc(F)ccc1NC(=O)C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C19H27FN2O3/c1-4-25-17-11-13(20)9-10-16(17)22-19(24)18(23)21-15-8-6-5-7-14(15)12(2)3/h9-12,14-15H,4-8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUIFGEBLXCTWMNY-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.49
Rot. Bonds5

About N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide

N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide (PubChem CID 86888697) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
PubChem CID86888697
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
SMILESCCOc1cc(F)ccc1NC(=O)C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C19H27FN2O3/c1-4-25-17-11-13(20)9-10-16(17)22-19(24)18(23)21-15-8-6-5-7-14(15)12(2)3/h9-12,14-15H,4-8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUIFGEBLXCTWMNY-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 55819670

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The IUPAC name of N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide (CID 86888697) is N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide.
What is the SMILES notation for N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The canonical SMILES for N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide is CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCCCC1C(C)C.
What is the InChIKey of N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
The InChIKey is UIFGEBLXCTWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-4-25-17-11-13(20)9-10-16(17)22-19(24)18(23)21-15-8-6-5-7-14(15)12(2)3/h9-12,14-15H,4-8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide?
N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide has a molecular weight of 350.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide is sourced from PubChem (CID 86888697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).