(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide

C15H17N3O3 — CID 94896726

IUPAC(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOCCNC(=O)[C@@H](C#N)[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-12-6-4-3-5-10(12)13(15(18)20)11(9-16)14(19)17-7-8-21-2/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13+/m0/s1
InChIKeyODNAVQKAJRSKGU-WCQYABFASA-N
MW287.32 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide

(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 94896726) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID94896726
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCOCCNC(=O)[C@@H](C#N)[C@@H]1C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-12-6-4-3-5-10(12)13(15(18)20)11(9-16)14(19)17-7-8-21-2/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13+/m0/s1
InChIKeyODNAVQKAJRSKGU-WCQYABFASA-N
XLogP0.65
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(2-methoxyethyl)carbamate
CID 90908417
[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(2-methoxyethyl)carbamate
CID 91409946
ethyl 2-(ethoxycarbonylamino)-2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 44613236
N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
N-[2-(2-hydroxyethoxy)ethyl]-N'-(1-methyl-2-oxo-3H-indol-3-yl)oxamide
CID 51043505
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
1-(2-methoxyethyl)-3-(methylamino)-3H-indol-2-one
CID 114988724
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 3224997
3-[5-(4-bromophenyl)thiophen-2-yl]-2-cyano-N-(2-methoxyethyl)-3-oxopropanamide
CID 112839566
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-methoxyethyl)acetamide
CID 95551779
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 94896726) is (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide is COCCNC(=O)[C@@H](C#N)[C@@H]1C(=O)N(C)c2ccccc21.
What is the InChIKey of (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is ODNAVQKAJRSKGU-WCQYABFASA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-12-6-4-3-5-10(12)13(15(18)20)11(9-16)14(19)17-7-8-21-2/h3-6,11,13H,7-8H2,1-2H3,(H,17,19)/t11-,13+/m0/s1.
What are the key properties of (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide?
(2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(2-methoxyethyl)-2-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 94896726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).