N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide

C19H22N2O3 — CID 108518757

IUPACN,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-20(14-16-8-4-2-5-9-16)18(23)19(24)21(12-13-22)15-17-10-6-3-7-11-17/h2-11,22H,12-15H2,1H3
InChIKeyJPHCJKMNOLITRJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.67
Rot. Bonds6

About N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide

N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide (PubChem CID 108518757) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
PubChem CID108518757
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-20(14-16-8-4-2-5-9-16)18(23)19(24)21(12-13-22)15-17-10-6-3-7-11-17/h2-11,22H,12-15H2,1H3
InChIKeyJPHCJKMNOLITRJ-UHFFFAOYSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.67
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,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide?
The IUPAC name of N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide (CID 108518757) is N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide.
What is the SMILES notation for N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide?
The canonical SMILES for N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide is CN(Cc1ccccc1)C(=O)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide?
The InChIKey is JPHCJKMNOLITRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(14-16-8-4-2-5-9-16)18(23)19(24)21(12-13-22)15-17-10-6-3-7-11-17/h2-11,22H,12-15H2,1H3.
What are the key properties of N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide?
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide has a molecular weight of 326.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide is sourced from PubChem (CID 108518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).