3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide

C18H18N2O2 — CID 108953153

IUPAC3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
SMILESCN(C(=O)CC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19(15-8-3-2-4-9-15)17(21)13-18(22)20-12-11-14-7-5-6-10-16(14)20/h2-10H,11-13H2,1H3
InChIKeyBUSSJCKAOZWVDD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.63
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide

3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide (PubChem CID 108953153) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
PubChem CID108953153
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
SMILESCN(C(=O)CC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19(15-8-3-2-4-9-15)17(21)13-18(22)20-12-11-14-7-5-6-10-16(14)20/h2-10H,11-13H2,1H3
InChIKeyBUSSJCKAOZWVDD-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944570
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
CID 167826040

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide (CID 108953153) is 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide is CN(C(=O)CC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide?
The InChIKey is BUSSJCKAOZWVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(15-8-3-2-4-9-15)17(21)13-18(22)20-12-11-14-7-5-6-10-16(14)20/h2-10H,11-13H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide?
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 108953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).