(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide

C15H20N2O2 — CID 170878130

IUPAC(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1cc(N2CCCC2)ccc1/C=C/C(N)=O
InChIInChI=1S/C15H20N2O2/c1-2-19-14-11-13(17-9-3-4-10-17)7-5-12(14)6-8-15(16)18/h5-8,11H,2-4,9-10H2,1H3,(H2,16,18)/b8-6+
InChIKeyWSVXPMWUCRVRSU-SOFGYWHQSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds5

About (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide

(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide (PubChem CID 170878130) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
PubChem CID170878130
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
SMILESCCOc1cc(N2CCCC2)ccc1/C=C/C(N)=O
InChIInChI=1S/C15H20N2O2/c1-2-19-14-11-13(17-9-3-4-10-17)7-5-12(14)6-8-15(16)18/h5-8,11H,2-4,9-10H2,1H3,(H2,16,18)/b8-6+
InChIKeyWSVXPMWUCRVRSU-SOFGYWHQSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877760
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
CID 66515895
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
CID 169094237
ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 169480918
ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
ethyl 2-[(5E)-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126246735
(E)-3-[4-(4-benzylpiperazin-1-yl)-2-bromophenyl]prop-2-enamide
CID 170878040
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide (CID 170878130) is (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide is CCOc1cc(N2CCCC2)ccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
The InChIKey is WSVXPMWUCRVRSU-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-14-11-13(17-9-3-4-10-17)7-5-12(14)6-8-15(16)18/h5-8,11H,2-4,9-10H2,1H3,(H2,16,18)/b8-6+.
What are the key properties of (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide?
(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170878130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).