1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C15H20N2O4 — CID 61447430

IUPAC1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCN(CCOC)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-16(8-9-21-2)15(20)17-12-7-5-4-6-11(12)10-13(17)14(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyRNSDWZSZEMIMJE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.59
Rot. Bonds5

About 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61447430) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61447430
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCN(CCOC)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-3-16(8-9-21-2)15(20)17-12-7-5-4-6-11(12)10-13(17)14(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyRNSDWZSZEMIMJE-UHFFFAOYSA-N
XLogP1.59
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[ethyl(2-hydroxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61208806
(2S)-1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61452466
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
2-[2-methoxyethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 79270269
1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 43359821
(2S)-1-[methyl(2-methylsulfanylethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103955199
1-[methyl(2-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63957255
3-[ethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 61185854
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61207294
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61447430) is 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CCN(CCOC)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is RNSDWZSZEMIMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-16(8-9-21-2)15(20)17-12-7-5-4-6-11(12)10-13(17)14(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methoxyethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61447430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).