(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide

C17H18N2O3 — CID 98449969

IUPAC(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC=CCC2)c1
InChIInChI=1S/C17H18N2O3/c1-22-14-9-5-8-13(10-14)19-17(21)15(11-18)16(20)12-6-3-2-4-7-12/h2-3,5,8-10,12,15H,4,6-7H2,1H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyRAMCDEXEFFGLOM-SWLSCSKDSA-N
MW298.34 g/mol
LogP2.70
Rot. Bonds5

About (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide

(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide (PubChem CID 98449969) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
PubChem CID98449969
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
SMILESCOc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC=CCC2)c1
InChIInChI=1S/C17H18N2O3/c1-22-14-9-5-8-13(10-14)19-17(21)15(11-18)16(20)12-6-3-2-4-7-12/h2-3,5,8-10,12,15H,4,6-7H2,1H3,(H,19,21)/t12-,15+/m0/s1
InChIKeyRAMCDEXEFFGLOM-SWLSCSKDSA-N
XLogP2.70
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-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

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932058
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382
2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
CID 47275634
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
2-cyano-3-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011877
2-cyano-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011914
2-cyano-N-(3-methoxyphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-3-oxopropanamide
CID 87011880
[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
2-cyano-N-(3-methoxyphenyl)-3-(3-methyl-2-nitrophenyl)-3-oxopropanamide
CID 51119454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide (CID 98449969) is (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide is COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC=CCC2)c1.
What is the InChIKey of (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide?
The InChIKey is RAMCDEXEFFGLOM-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-14-9-5-8-13(10-14)19-17(21)15(11-18)16(20)12-6-3-2-4-7-12/h2-3,5,8-10,12,15H,4,6-7H2,1H3,(H,19,21)/t12-,15+/m0/s1.
What are the key properties of (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide?
(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide has a molecular weight of 298.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 98449969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).