3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide

C18H18N2O2 — CID 108953092

IUPAC3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)19-17(21)12-18(22)20-11-10-14-4-2-3-5-16(14)20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyZHYDNIJTMYNRJA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.91
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide

3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide (PubChem CID 108953092) 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-(4-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
PubChem CID108953092
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)19-17(21)12-18(22)20-11-10-14-4-2-3-5-16(14)20/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyZHYDNIJTMYNRJA-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19631179
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
CID 108953391
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
N-(4-bromo-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953321
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide (CID 108953092) is 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide is Cc1ccc(NC(=O)CC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide?
The InChIKey is ZHYDNIJTMYNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-8-15(9-7-13)19-17(21)12-18(22)20-11-10-14-4-2-3-5-16(14)20/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide?
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide has a molecular weight of 294.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108953092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).