(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

C20H26N2O4 — CID 51181791

IUPAC(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-3-14-26-17-8-6-16(15-18(17)25-2)7-9-19(23)21-11-10-20(24)22-12-4-5-13-22/h3,6-9,15H,1,4-5,10-14H2,2H3,(H,21,23)/b9-7+
InChIKeyVVACQHHOZTXOLS-VQHVLOKHSA-N
MW358.44 g/mol
LogP2.40
Rot. Bonds9

About (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 51181791) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID51181791
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-3-14-26-17-8-6-16(15-18(17)25-2)7-9-19(23)21-11-10-20(24)22-12-4-5-13-22/h3,6-9,15H,1,4-5,10-14H2,2H3,(H,21,23)/b9-7+
InChIKeyVVACQHHOZTXOLS-VQHVLOKHSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9391714
N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 72688828
(Z)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[(4R)-4-methylazepan-1-yl]prop-2-en-1-one
CID 97435391
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]prop-2-enamide
CID 18207857
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 52609236
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566449
(E)-3-(4-tert-butylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 134001701
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
(E)-N-hexyl-3-[3-methoxy-4-(6-morpholin-4-yl-6-oxohexoxy)phenyl]prop-2-enamide
CID 21337225

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 51181791) is (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)NCCC(=O)N2CCCC2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is VVACQHHOZTXOLS-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-14-26-17-8-6-16(15-18(17)25-2)7-9-19(23)21-11-10-20(24)22-12-4-5-13-22/h3,6-9,15H,1,4-5,10-14H2,2H3,(H,21,23)/b9-7+.
What are the key properties of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 51181791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).