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

C19H22N2O3 — CID 87039915

IUPACN'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
SMILESCCOc1cc(C)ccc1NC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-12-14(2)10-11-16(17)20-18(22)19(23)21(3)13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyVALAZVCDZSPNKY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.99
Rot. Bonds5

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

N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide (PubChem CID 87039915) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
PubChem CID87039915
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
SMILESCCOc1cc(C)ccc1NC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-24-17-12-14(2)10-11-16(17)20-18(22)19(23)21(3)13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyVALAZVCDZSPNKY-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
CID 108518877
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
2-(3-aminophenyl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 62500140
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide (CID 87039915) is N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide is CCOc1cc(C)ccc1NC(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide?
The InChIKey is VALAZVCDZSPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-17-12-14(2)10-11-16(17)20-18(22)19(23)21(3)13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide?
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide has a molecular weight of 326.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide is sourced from PubChem (CID 87039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).