(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide

C19H16N2O3 — CID 19175698

IUPAC(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H16N2O3/c1-13(22)14-7-5-8-17(11-14)21-19(23)16(12-20)10-15-6-3-4-9-18(15)24-2/h3-11H,1-2H3,(H,21,23)/b16-10+
InChIKeyXGXGAAWRAZARMT-MHWRWJLKSA-N
MW320.35 g/mol
LogP3.44
Rot. Bonds5

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

(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 19175698) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID19175698
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H16N2O3/c1-13(22)14-7-5-8-17(11-14)21-19(23)16(12-20)10-15-6-3-4-9-18(15)24-2/h3-11H,1-2H3,(H,21,23)/b16-10+
InChIKeyXGXGAAWRAZARMT-MHWRWJLKSA-N
XLogP3.44
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.44
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-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 124644502
3-[[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 2372207
(E)-N-(3-bromophenyl)-2-cyano-3-(2-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 21229477
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 7515684
(E)-2-cyano-N-(3-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 1277901
(Z)-2-cyano-3-(2-fluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 51166998
(Z)-3-(3-acetylanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825853
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490
3-[[(Z)-2-cyano-3-(2-methoxy-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid
CID 124548314
(Z)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 99905493
(Z)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)-2-cyanoprop-2-enamide
CID 108856624

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide (CID 19175698) is (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is XGXGAAWRAZARMT-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13(22)14-7-5-8-17(11-14)21-19(23)16(12-20)10-15-6-3-4-9-18(15)24-2/h3-11H,1-2H3,(H,21,23)/b16-10+.
What are the key properties of (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 320.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19175698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).