4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide

C21H23N3O3 — CID 9323832

IUPAC4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H23N3O3/c1-4-14-7-10-18-17(11-14)19(25)21(27)24(18)13-23(3)12-15-5-8-16(9-6-15)20(26)22-2/h5-11H,4,12-13H2,1-3H3,(H,22,26)
InChIKeyNIOYYYSUWAPIRS-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.23
Rot. Bonds6

About 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide

4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 9323832) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID9323832
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C21H23N3O3/c1-4-14-7-10-18-17(11-14)19(25)21(27)24(18)13-23(3)12-15-5-8-16(9-6-15)20(26)22-2/h5-11H,4,12-13H2,1-3H3,(H,22,26)
InChIKeyNIOYYYSUWAPIRS-UHFFFAOYSA-N
XLogP2.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
CID 9234654
N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
CID 9323622
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
4-(5-ethyl-2,3-dioxoindol-1-yl)-2-methylbut-2-enoic acid
CID 77076054
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]indole-2,3-dione
CID 17445669
4-[[[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 9323874
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide (CID 9323832) is 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide is CCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is NIOYYYSUWAPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-14-7-10-18-17(11-14)19(25)21(27)24(18)13-23(3)12-15-5-8-16(9-6-15)20(26)22-2/h5-11H,4,12-13H2,1-3H3,(H,22,26).
What are the key properties of 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide?
4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9323832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).