1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione

C22H26N2O4 — CID 9234654

IUPAC1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H26N2O4/c1-6-15-7-8-18-17(10-15)21(25)22(26)24(18)13-23(3)12-16-11-20(28-5)19(27-4)9-14(16)2/h7-11H,6,12-13H2,1-5H3
InChIKeyPKYOLBLWVMBOQR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.19
Rot. Bonds7

About 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione

1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione (PubChem CID 9234654) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
PubChem CID9234654
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C22H26N2O4/c1-6-15-7-8-18-17(10-15)21(25)22(26)24(18)13-23(3)12-16-11-20(28-5)19(27-4)9-14(16)2/h7-11H,6,12-13H2,1-5H3
InChIKeyPKYOLBLWVMBOQR-UHFFFAOYSA-N
XLogP3.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9234389
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]isoindole-1,3-dione
CID 9234059
4-[[(5-ethyl-2,3-dioxoindol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 9323832
(3aR,7aS)-2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9234352
(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium
CID 9234155
6-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 31582782
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
6-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 9318515
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9318556
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-methoxyindole-2,3-dione
CID 32773430

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione?
The IUPAC name of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione (CID 9234654) is 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione.
What is the SMILES notation for 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione?
The canonical SMILES for 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione is CCc1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione?
The InChIKey is PKYOLBLWVMBOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-6-15-7-8-18-17(10-15)21(25)22(26)24(18)13-23(3)12-16-11-20(28-5)19(27-4)9-14(16)2/h7-11H,6,12-13H2,1-5H3.
What are the key properties of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione?
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione has a molecular weight of 382.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione is sourced from PubChem (CID 9234654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).