(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide

C14H16N2O2 — CID 6034042

IUPAC(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H16N2O2/c1-10(2)16-14(17)12(9-15)8-11-4-6-13(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17)/b12-8+
InChIKeyXDRSMQCFENOOLC-XYOKQWHBSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds4

About (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide

(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 6034042) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID6034042
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H16N2O2/c1-10(2)16-14(17)12(9-15)8-11-4-6-13(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17)/b12-8+
InChIKeyXDRSMQCFENOOLC-XYOKQWHBSA-N
XLogP2.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 19175082
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(2E)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241601
(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 2713943
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
(2Z)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2324707
(E)-N-carbamothioyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 15257743
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-propan-2-ylprop-2-enamide
CID 108829528
(E)-2-cyano-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19174354
(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 2133142
(Z)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 124651830
(Z)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 19183683

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 6034042) is (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1.
What is the InChIKey of (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is XDRSMQCFENOOLC-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)16-14(17)12(9-15)8-11-4-6-13(18-3)7-5-11/h4-8,10H,1-3H3,(H,16,17)/b12-8+.
What are the key properties of (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide?
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 6034042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).