N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide

C19H18N2O3 — CID 4559680

IUPACN-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C19H18N2O3/c1-11-7-6-9-15(12(11)2)20-18(23)13(3)21-16-10-5-4-8-14(16)17(22)19(21)24/h4-10,13H,1-3H3,(H,20,23)
InChIKeyCWQQRBLOSYNECB-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.86
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide

N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide (PubChem CID 4559680) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
PubChem CID4559680
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)N2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C19H18N2O3/c1-11-7-6-9-15(12(11)2)20-18(23)13(3)21-16-10-5-4-8-14(16)17(22)19(21)24/h4-10,13H,1-3H3,(H,20,23)
InChIKeyCWQQRBLOSYNECB-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 55333968
[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
CID 7027425
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide (CID 4559680) is N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide is Cc1cccc(NC(=O)C(C)N2C(=O)C(=O)c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide?
The InChIKey is CWQQRBLOSYNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-7-6-9-15(12(11)2)20-18(23)13(3)21-16-10-5-4-8-14(16)17(22)19(21)24/h4-10,13H,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide?
N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide is sourced from PubChem (CID 4559680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).