1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid

C16H22N2O3 — CID 62118793

IUPAC1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-5-13(4-2)17-16(21)18-9-8-11-10-12(15(19)20)6-7-14(11)18/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXQJCIVQHELXYEN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.04
Rot. Bonds5

About 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid

1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 62118793) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID62118793
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-5-13(4-2)17-16(21)18-9-8-11-10-12(15(19)20)6-7-14(11)18/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXQJCIVQHELXYEN-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hex-1-yn-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 106232456
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[methyl(pentan-3-yl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61201023
1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199095
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (CID 62118793) is 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is CCCC(CC)NC(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is XQJCIVQHELXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-5-13(4-2)17-16(21)18-9-8-11-10-12(15(19)20)6-7-14(11)18/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 62118793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).