(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide

C18H16N2O3 — CID 2713805

IUPAC(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H16N2O3/c1-22-16-9-5-3-7-13(16)11-14(12-19)18(21)20-15-8-4-6-10-17(15)23-2/h3-11H,1-2H3,(H,20,21)/b14-11+
InChIKeyMEAMKNMDLQJOBY-SDNWHVSQSA-N
MW308.34 g/mol
LogP3.25
Rot. Bonds5

About (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide

(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide (PubChem CID 2713805) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
PubChem CID2713805
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H16N2O3/c1-22-16-9-5-3-7-13(16)11-14(12-19)18(21)20-15-8-4-6-10-17(15)23-2/h3-11H,1-2H3,(H,20,21)/b14-11+
InChIKeyMEAMKNMDLQJOBY-SDNWHVSQSA-N
XLogP3.25
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(2-iodophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2688799
(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 2688789
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
3-(4-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3254379
methyl 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2713812
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490
(E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 40625864
(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
CID 19175698
2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3561943
(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 6993290
potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 19205389

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide (CID 2713805) is (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC.
What is the InChIKey of (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide?
The InChIKey is MEAMKNMDLQJOBY-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-9-5-3-7-13(16)11-14(12-19)18(21)20-15-8-4-6-10-17(15)23-2/h3-11H,1-2H3,(H,20,21)/b14-11+.
What are the key properties of (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2713805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).