N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

C18H17N3O3 — CID 40946997

IUPACN-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-21-14-10-6-5-9-13(14)15(18(21)24)20-17(23)16(22)19-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyZAEOAXCNDWQKKI-OAHLLOKOSA-N
MW323.35 g/mol
LogP1.14
Rot. Bonds3

About N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide

N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 40946997) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID40946997
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-21-14-10-6-5-9-13(14)15(18(21)24)20-17(23)16(22)19-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyZAEOAXCNDWQKKI-OAHLLOKOSA-N
XLogP1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 40946997) is N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is ZAEOAXCNDWQKKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-14-10-6-5-9-13(14)15(18(21)24)20-17(23)16(22)19-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 323.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 40946997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).