1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid

C23H24N2O4 — CID 120691158

IUPAC1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)ccc21
InChIInChI=1S/C23H24N2O4/c1-14-15(2)24(10-11-29-3)21-9-8-16(12-18(14)21)22(26)25-13-19(23(27)28)17-6-4-5-7-20(17)25/h4-9,12,19H,10-11,13H2,1-3H3,(H,27,28)
InChIKeyLXCQSZAJHYCMHJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.73
Rot. Bonds5

About 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691158) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691158
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)ccc21
InChIInChI=1S/C23H24N2O4/c1-14-15(2)24(10-11-29-3)21-9-8-16(12-18(14)21)22(26)25-13-19(23(27)28)17-6-4-5-7-20(17)25/h4-9,12,19H,10-11,13H2,1-3H3,(H,27,28)
InChIKeyLXCQSZAJHYCMHJ-UHFFFAOYSA-N
XLogP3.73
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691291
(3R)-1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609772
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
CID 119248844
2-[cyclopropyl-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]propanoic acid
CID 119203397
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]butanoic acid
CID 119224087
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
CID 86779598
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691790
1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
(2S,3S)-2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194363
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691158) is 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid is COCCn1c(C)c(C)c2cc(C(=O)N3CC(C(=O)O)c4ccccc43)ccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is LXCQSZAJHYCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-15(2)24(10-11-29-3)21-9-8-16(12-18(14)21)22(26)25-13-19(23(27)28)17-6-4-5-7-20(17)25/h4-9,12,19H,10-11,13H2,1-3H3,(H,27,28).
What are the key properties of 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).