N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide

C18H20N2O3 — CID 86827079

IUPACN-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-3-23-15-9-10-16(13(2)11-15)20-18(22)17(21)19-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNNOAALQTPPDSAE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide

N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide (PubChem CID 86827079) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
PubChem CID86827079
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-3-23-15-9-10-16(13(2)11-15)20-18(22)17(21)19-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNNOAALQTPPDSAE-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.65
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'-(4-ethoxy-2-methylphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]oxamide
CID 86827111
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335622
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 71894836
1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
CID 108884390
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide?
The IUPAC name of N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide (CID 86827079) is N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide?
The canonical SMILES for N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide?
The InChIKey is NNOAALQTPPDSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-15-9-10-16(13(2)11-15)20-18(22)17(21)19-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide?
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide is sourced from PubChem (CID 86827079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).