(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium

C23H29N2O4+ — CID 9234155

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium
SMILESCOc1cc(C)c(C[NH+](C)CN2C(=O)C(=O)c3cc(C(C)C)ccc32)cc1OC
InChIInChI=1S/C23H28N2O4/c1-14(2)16-7-8-19-18(10-16)22(26)23(27)25(19)13-24(4)12-17-11-21(29-6)20(28-5)9-15(17)3/h7-11,14H,12-13H2,1-6H3/p+1
InChIKeySZLVQJVKBKVWSH-UHFFFAOYSA-O
MW397.50 g/mol
LogP2.34
Rot. Bonds7

About (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium

(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium (PubChem CID 9234155) has the molecular formula C23H29N2O4+ and a molecular weight of 397.50 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium
PubChem CID9234155
Molecular FormulaC23H29N2O4+
Molecular Weight397.50 g/mol
Exact Mass397.21
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium
SMILESCOc1cc(C)c(C[NH+](C)CN2C(=O)C(=O)c3cc(C(C)C)ccc32)cc1OC
InChIInChI=1S/C23H28N2O4/c1-14(2)16-7-8-19-18(10-16)22(26)23(27)25(19)13-24(4)12-17-11-21(29-6)20(28-5)9-15(17)3/h7-11,14H,12-13H2,1-6H3/p+1
InChIKeySZLVQJVKBKVWSH-UHFFFAOYSA-O
XLogP2.34
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.34
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

1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione;dihydrochloride
CID 23363923
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-methylindole-2,3-dione
CID 9234389
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5-ethylindole-2,3-dione
CID 9234654
1-(3-bromopropyl)-5-propan-2-ylindole-2,3-dione
CID 4979925
ethyl 3-(2,3-dioxo-5-propan-2-ylindol-1-yl)propanoate
CID 145328282
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione
CID 9285476
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
(4,5-dimethoxy-2-methylphenyl)methyl-[[4-(2,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 9234248
1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione
CID 174421181
5-bromo-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]indole-2,3-dione
CID 18823275
2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide
CID 129218462
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]isoindole-1,3-dione
CID 9234059

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium (CID 9234155) is (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium is COc1cc(C)c(C[NH+](C)CN2C(=O)C(=O)c3cc(C(C)C)ccc32)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium?
The InChIKey is SZLVQJVKBKVWSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N2O4/c1-14(2)16-7-8-19-18(10-16)22(26)23(27)25(19)13-24(4)12-17-11-21(29-6)20(28-5)9-15(17)3/h7-11,14H,12-13H2,1-6H3/p+1.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium?
(4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium has a molecular weight of 397.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]-methylazanium is sourced from PubChem (CID 9234155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).