1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid

C15H21N3O3 — CID 61190065

IUPAC1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(C)CCCNC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-17(2)9-5-8-16-15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVRXIGRHFPRZKAM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.16
Rot. Bonds5

About 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid

1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61190065) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61190065
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN(C)CCCNC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-17(2)9-5-8-16-15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVRXIGRHFPRZKAM-UHFFFAOYSA-N
XLogP1.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108944300
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(3R)-2-[2-(dimethylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188147
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109134117
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61190065) is 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid is CN(C)CCCNC(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is VRXIGRHFPRZKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)9-5-8-16-15(21)18-12-7-4-3-6-11(12)10-13(18)14(19)20/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61190065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).