(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide

C15H20N2O2 — CID 82176955

IUPAC(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCNC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-19-14-6-3-12(4-7-14)5-8-15(18)17-13-9-10-16-11-13/h3-8,13,16H,2,9-11H2,1H3,(H,17,18)/b8-5+
InChIKeyKMBZWAKMRVZBDH-VMPITWQZSA-N
MW260.34 g/mol
LogP1.58
Rot. Bonds5

About (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide (PubChem CID 82176955) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
PubChem CID82176955
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCNC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-19-14-6-3-12(4-7-14)5-8-15(18)17-13-9-10-16-11-13/h3-8,13,16H,2,9-11H2,1H3,(H,17,18)/b8-5+
InChIKeyKMBZWAKMRVZBDH-VMPITWQZSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
(E)-N-(cyclopentylcarbamothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227495
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
CID 127217554
(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
(E)-3-(4-ethoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114630620
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131
(6S)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42506597

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide (CID 82176955) is (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide is CCOc1ccc(/C=C/C(=O)NC2CCNC2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
The InChIKey is KMBZWAKMRVZBDH-VMPITWQZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-14-6-3-12(4-7-14)5-8-15(18)17-13-9-10-16-11-13/h3-8,13,16H,2,9-11H2,1H3,(H,17,18)/b8-5+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide is sourced from PubChem (CID 82176955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).