N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide

C18H16N2O3 — CID 2337508

IUPACN-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
SMILESCc1ccccc1NC(=O)CC(=O)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N2O3/c1-11-6-2-4-8-13(11)19-16(22)10-15(21)17-12-7-3-5-9-14(12)20-18(17)23/h2-9,17H,10H2,1H3,(H,19,22)(H,20,23)/t17-/m0/s1
InChIKeyMIGRZEJURYIVNQ-KRWDZBQOSA-N
MW308.34 g/mol
LogP2.63
Rot. Bonds4

About N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide

N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide (PubChem CID 2337508) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
PubChem CID2337508
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
SMILESCc1ccccc1NC(=O)CC(=O)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N2O3/c1-11-6-2-4-8-13(11)19-16(22)10-15(21)17-12-7-3-5-9-14(12)20-18(17)23/h2-9,17H,10H2,1H3,(H,19,22)(H,20,23)/t17-/m0/s1
InChIKeyMIGRZEJURYIVNQ-KRWDZBQOSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methylphenyl)acetamide
CID 75465802
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(2-methylphenyl)acetamide
CID 171347082
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 25393557
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2323488
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide (CID 2337508) is N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide is Cc1ccccc1NC(=O)CC(=O)[C@H]1C(=O)Nc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide?
The InChIKey is MIGRZEJURYIVNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-2-4-8-13(11)19-16(22)10-15(21)17-12-7-3-5-9-14(12)20-18(17)23/h2-9,17H,10H2,1H3,(H,19,22)(H,20,23)/t17-/m0/s1.
What are the key properties of N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide?
N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide is sourced from PubChem (CID 2337508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).