1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid

C14H18N2O3 — CID 61195869

IUPAC1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCCCN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-3-7-15(2)14(19)16-8-6-10-9-11(13(17)18)4-5-12(10)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyLQTHMQMYZGQQPR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.21
Rot. Bonds3

About 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid

1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61195869) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID61195869
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCCCN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-3-7-15(2)14(19)16-8-6-10-9-11(13(17)18)4-5-12(10)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,18)
InChIKeyLQTHMQMYZGQQPR-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 62336981
1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61205326
1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199374
1-[methyl(pentan-3-yl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61201023
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199095
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
2-[methyl(propyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999710
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62118793
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (CID 61195869) is 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is CCCN(C)C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is LQTHMQMYZGQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-7-15(2)14(19)16-8-6-10-9-11(13(17)18)4-5-12(10)16/h4-5,9H,3,6-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61195869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).