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

C21H24N2O4 — CID 9234389

IUPAC1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
SMILESCOc1cc(C)c(CN(C)CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-6-7-17-16(8-13)20(24)21(25)23(17)12-22(3)11-15-10-19(27-5)18(26-4)9-14(15)2/h6-10H,11-12H2,1-5H3
InChIKeyABPWHNWDVDRVBF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.94
Rot. Bonds6

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

1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione (PubChem CID 9234389) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
PubChem CID9234389
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
SMILESCOc1cc(C)c(CN(C)CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC
InChIInChI=1S/C21H24N2O4/c1-13-6-7-17-16(8-13)20(24)21(25)23(17)12-22(3)11-15-10-19(27-5)18(26-4)9-14(15)2/h6-10H,11-12H2,1-5H3
InChIKeyABPWHNWDVDRVBF-UHFFFAOYSA-N
XLogP2.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.94
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-ethylindole-2,3-dione
CID 9234654
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]isoindole-1,3-dione
CID 9234059
(3aR,7aS)-2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9234352
1-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9172212
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium
CID 9234155
7-bromo-1-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]indole-2,3-dione
CID 9280015
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
6-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione
CID 31582782
2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
CID 42944047

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione (CID 9234389) is 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione is COc1cc(C)c(CN(C)CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC.
What is the InChIKey of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione?
The InChIKey is ABPWHNWDVDRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-6-7-17-16(8-13)20(24)21(25)23(17)12-22(3)11-15-10-19(27-5)18(26-4)9-14(15)2/h6-10H,11-12H2,1-5H3.
What are the key properties of 1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione?
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione has a molecular weight of 368.43 g/mol, XLogP of 2.94, 6 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-methylindole-2,3-dione is sourced from PubChem (CID 9234389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).