3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide

C19H22N2O3 — CID 109052503

IUPAC3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(14-15-7-4-3-5-8-15)19(23)17-10-6-9-16(13-17)18(22)20-11-12-24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyFSZGXAONCJZWEU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds7

About 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109052503) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109052503
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(14-15-7-4-3-5-8-15)19(23)17-10-6-9-16(13-17)18(22)20-11-12-24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyFSZGXAONCJZWEU-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 109052503) is 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is FSZGXAONCJZWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(14-15-7-4-3-5-8-15)19(23)17-10-6-9-16(13-17)18(22)20-11-12-24-2/h3-10,13H,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109052503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).