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

C18H27N3O2 — CID 108960333

IUPACN-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O2/c1-13-12-14-8-6-7-9-15(14)21(13)17(23)18(2,3)16(22)19-10-11-20(4)5/h6-9,13H,10-12H2,1-5H3,(H,19,22)
InChIKeyZOKRPZGOCIZQBY-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.67
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108960333) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108960333
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C18H27N3O2/c1-13-12-14-8-6-7-9-15(14)21(13)17(23)18(2,3)16(22)19-10-11-20(4)5/h6-9,13H,10-12H2,1-5H3,(H,19,22)
InChIKeyZOKRPZGOCIZQBY-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108959421
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
N-(3,4-dimethylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108967984
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970085
N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108944300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970024
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
N-benzyl-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108966235
[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109277439
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109134117
N-[2-(dimethylamino)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)thiophene-2-carboxamide
CID 20940625

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108960333) is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is ZOKRPZGOCIZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-12-14-8-6-7-9-15(14)21(13)17(23)18(2,3)16(22)19-10-11-20(4)5/h6-9,13H,10-12H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 317.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108960333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).