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

C17H21N3O3 — CID 41024763

IUPACN-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCCN1C(=O)[C@H](NC(=O)C(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-2-20-13-10-6-5-9-12(13)14(17(20)23)19-16(22)15(21)18-11-7-3-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyUVZNDFYUBXLDHA-CQSZACIVSA-N
MW315.37 g/mol
LogP1.27
Rot. Bonds3

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

N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide (PubChem CID 41024763) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
PubChem CID41024763
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
SMILESCCN1C(=O)[C@H](NC(=O)C(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-2-20-13-10-6-5-9-12(13)14(17(20)23)19-16(22)15(21)18-11-7-3-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyUVZNDFYUBXLDHA-CQSZACIVSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.27
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-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide (CID 41024763) is N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide is CCN1C(=O)[C@H](NC(=O)C(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide?
The InChIKey is UVZNDFYUBXLDHA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-20-13-10-6-5-9-12(13)14(17(20)23)19-16(22)15(21)18-11-7-3-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide?
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide has a molecular weight of 315.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide is sourced from PubChem (CID 41024763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).