N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide

C20H23FN2O3 — CID 108510628

IUPACN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-4-26-18-10-9-13(2)11-16(18)14(3)23-20(25)19(24)22-12-15-7-5-6-8-17(15)21/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIZVYGJVWOKZMPS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.03
Rot. Bonds6

About N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108510628) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID108510628
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-4-26-18-10-9-13(2)11-16(18)14(3)23-20(25)19(24)22-12-15-7-5-6-8-17(15)21/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyIZVYGJVWOKZMPS-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.03
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'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 108510554
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-[1-(2-ethoxy-5-methylphenyl)ethylamino]prop-2-enamide
CID 108835855
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide (CID 108510628) is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is IZVYGJVWOKZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-4-26-18-10-9-13(2)11-16(18)14(3)23-20(25)19(24)22-12-15-7-5-6-8-17(15)21/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide?
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 358.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108510628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).