N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

C19H28N4O3 — CID 40961537

IUPACN-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O3/c1-5-22(6-2)12-11-20-17(24)18(25)21-16-14-9-7-8-10-15(14)23(13(3)4)19(16)26/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyWUFXFPLIDYMLTH-INIZCTEOSA-N
MW360.46 g/mol
LogP1.06
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (PubChem CID 40961537) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
PubChem CID40961537
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCCN(CC)CCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C19H28N4O3/c1-5-22(6-2)12-11-20-17(24)18(25)21-16-14-9-7-8-10-15(14)23(13(3)4)19(16)26/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyWUFXFPLIDYMLTH-INIZCTEOSA-N
XLogP1.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.06
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-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (CID 40961537) is N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is CCN(CC)CCNC(=O)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The InChIKey is WUFXFPLIDYMLTH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-22(6-2)12-11-20-17(24)18(25)21-16-14-9-7-8-10-15(14)23(13(3)4)19(16)26/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,20,24)(H,21,25)/t16-/m0/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide has a molecular weight of 360.46 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is sourced from PubChem (CID 40961537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).