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

C15H20N4O3 — CID 51973716

IUPACN-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN(C)CCNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H20N4O3/c1-18(2)9-8-16-13(20)14(21)17-12-10-6-4-5-7-11(10)19(3)15(12)22/h4-7,12H,8-9H2,1-3H3,(H,16,20)(H,17,21)/t12-/m1/s1
InChIKeyVHKHLBUEODWJCE-GFCCVEGCSA-N
MW304.35 g/mol
LogP-0.50
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 51973716) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID51973716
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCN(C)CCNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H20N4O3/c1-18(2)9-8-16-13(20)14(21)17-12-10-6-4-5-7-11(10)19(3)15(12)22/h4-7,12H,8-9H2,1-3H3,(H,16,20)(H,17,21)/t12-/m1/s1
InChIKeyVHKHLBUEODWJCE-GFCCVEGCSA-N
XLogP-0.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide (CID 51973716) is N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is CN(C)CCNC(=O)C(=O)N[C@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is VHKHLBUEODWJCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18(2)9-8-16-13(20)14(21)17-12-10-6-4-5-7-11(10)19(3)15(12)22/h4-7,12H,8-9H2,1-3H3,(H,16,20)(H,17,21)/t12-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 304.35 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 51973716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).