N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C17H25N3O2 — CID 108944300

IUPACN-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)NCCCN(C)C
InChIInChI=1S/C17H25N3O2/c1-13-11-14-7-4-5-8-15(14)20(13)17(22)12-16(21)18-9-6-10-19(2)3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,18,21)
InChIKeyJIIYXODEJJTTAI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108944300) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108944300
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)NCCCN(C)C
InChIInChI=1S/C17H25N3O2/c1-13-11-14-7-4-5-8-15(14)20(13)17(22)12-16(21)18-9-6-10-19(2)3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,18,21)
InChIKeyJIIYXODEJJTTAI-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109134117
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574658
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108944300) is N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)CC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is JIIYXODEJJTTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-11-14-7-4-5-8-15(14)20(13)17(22)12-16(21)18-9-6-10-19(2)3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 303.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).