(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide

C21H20N2O3 — CID 98529487

IUPAC(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide
SMILESCOc1ccc(NC(=O)[C@H](C#N)C(=O)CC/C=C\c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-26-18-13-11-17(12-14-18)23-21(25)19(15-22)20(24)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14,19H,6,10H2,1H3,(H,23,25)/b9-5-/t19-/m1/s1
InChIKeySVGATCIHIJEKKZ-FVXMCEBTSA-N
MW348.40 g/mol
LogP3.84
Rot. Bonds8

About (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide

(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide (PubChem CID 98529487) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide.

Molecular Properties

Compound Name(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide
PubChem CID98529487
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide
SMILESCOc1ccc(NC(=O)[C@H](C#N)C(=O)CC/C=C\c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-26-18-13-11-17(12-14-18)23-21(25)19(15-22)20(24)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14,19H,6,10H2,1H3,(H,23,25)/b9-5-/t19-/m1/s1
InChIKeySVGATCIHIJEKKZ-FVXMCEBTSA-N
XLogP3.84
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide with MolForge

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Related Compounds

(2R)-2-cyano-4-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-methoxyphenyl)-3-oxobutanamide
CID 98359261
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide
CID 98450117
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
2-cyano-5,5-dimethyl-3-oxo-N-phenylhexanamide
CID 47275627
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
CID 177224278
2-cyano-5-hydroxy-3-oxo-N-phenylhexanamide
CID 54024914
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-3-(3,4,5-trifluorophenyl)propanamide
CID 98142107
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide?
The IUPAC name of (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide (CID 98529487) is (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide.
What is the SMILES notation for (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide?
The canonical SMILES for (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide is COc1ccc(NC(=O)[C@H](C#N)C(=O)CC/C=C\c2ccccc2)cc1.
What is the InChIKey of (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide?
The InChIKey is SVGATCIHIJEKKZ-FVXMCEBTSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-18-13-11-17(12-14-18)23-21(25)19(15-22)20(24)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14,19H,6,10H2,1H3,(H,23,25)/b9-5-/t19-/m1/s1.
What are the key properties of (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide?
(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide has a molecular weight of 348.40 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide is sourced from PubChem (CID 98529487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).