N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide

C17H22N4O4 — CID 9323622

IUPACN-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C17H22N4O4/c1-11(2)21-16(24)15(23)20(17(21)25)10-19(4)9-12-5-7-13(8-6-12)14(22)18-3/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeyVBQZEUXKMVIDDD-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.63
Rot. Bonds6

About N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide (PubChem CID 9323622) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
PubChem CID9323622
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C17H22N4O4/c1-11(2)21-16(24)15(23)20(17(21)25)10-19(4)9-12-5-7-13(8-6-12)14(22)18-3/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeyVBQZEUXKMVIDDD-UHFFFAOYSA-N
XLogP0.63
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323475
4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323832
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
N-methyl-4-[[methyl-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323541
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
CID 120980533
4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 9323874
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide (CID 9323622) is N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide?
The InChIKey is VBQZEUXKMVIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11(2)21-16(24)15(23)20(17(21)25)10-19(4)9-12-5-7-13(8-6-12)14(22)18-3/h5-8,11H,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 9323622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).