(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide

C20H17N3O3 — CID 98305933

IUPAC(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H17N3O3/c1-23-12-15(13-7-3-5-9-17(13)23)19(24)14(11-21)20(25)22-16-8-4-6-10-18(16)26-2/h3-10,12,14H,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyWEYYIBQSVKOOTI-CQSZACIVSA-N
MW347.37 g/mol
LogP3.15
Rot. Bonds5

About (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide

(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide (PubChem CID 98305933) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide
PubChem CID98305933
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H17N3O3/c1-23-12-15(13-7-3-5-9-17(13)23)19(24)14(11-21)20(25)22-16-8-4-6-10-18(16)26-2/h3-10,12,14H,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyWEYYIBQSVKOOTI-CQSZACIVSA-N
XLogP3.15
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 98284952
2-cyano-3-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 122160074
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816537
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
(2R)-2-cyano-N-methyl-3-(1-methylindol-4-yl)-3-oxopropanamide
CID 98353290
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
3-(1-methylindol-3-yl)-3-oxo-2-phenyldiazenylpropanenitrile
CID 123603569

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide?
The IUPAC name of (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide (CID 98305933) is (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide.
What is the SMILES notation for (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide?
The canonical SMILES for (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide is COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide?
The InChIKey is WEYYIBQSVKOOTI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23-12-15(13-7-3-5-9-17(13)23)19(24)14(11-21)20(25)22-16-8-4-6-10-18(16)26-2/h3-10,12,14H,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide?
(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide has a molecular weight of 347.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide is sourced from PubChem (CID 98305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).