diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium

C25H33N2O3+ — CID 7304711

IUPACdiethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium
SMILESCC[NH+](CC)CCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc12
InChIInChI=1S/C25H32N2O3/c1-6-26(7-2)14-9-15-30-25(28)24-19(4)27(20-11-8-10-18(3)16-20)23-13-12-21(29-5)17-22(23)24/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3/p+1
InChIKeyBCQNGLHWYGJJHM-UHFFFAOYSA-O
MW409.55 g/mol
LogP3.73
Rot. Bonds9

About diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium

diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium (PubChem CID 7304711) has the molecular formula C25H33N2O3+ and a molecular weight of 409.55 g/mol. Its IUPAC name is diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium
PubChem CID7304711
Molecular FormulaC25H33N2O3+
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Namediethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium
SMILESCC[NH+](CC)CCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc12
InChIInChI=1S/C25H32N2O3/c1-6-26(7-2)14-9-15-30-25(28)24-19(4)27(20-11-8-10-18(3)16-20)23-13-12-21(29-5)17-22(23)24/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3/p+1
InChIKeyBCQNGLHWYGJJHM-UHFFFAOYSA-O
XLogP3.73
TPSA44.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methoxy-2-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 56690107
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
CID 17138750
ethyl 1-(3-chlorophenyl)-2-methyl-5-phenacyloxyindole-3-carboxylate
CID 23992877
1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid
CID 169084484
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
CID 19238131
ethyl 5-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate
CID 23589053
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 3-bromobenzoate
CID 3773744

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium?
The IUPAC name of diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium (CID 7304711) is diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium.
What is the SMILES notation for diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium?
The canonical SMILES for diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium is CC[NH+](CC)CCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc12.
What is the InChIKey of diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium?
The InChIKey is BCQNGLHWYGJJHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N2O3/c1-6-26(7-2)14-9-15-30-25(28)24-19(4)27(20-11-8-10-18(3)16-20)23-13-12-21(29-5)17-22(23)24/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3/p+1.
What are the key properties of diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium?
diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium has a molecular weight of 409.55 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium is sourced from PubChem (CID 7304711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).