(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide

C19H24N2O3 — CID 9488922

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
SMILESNC(=O)COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H24N2O3/c20-18(22)14-24-17-9-6-16(7-10-17)8-11-19(23)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H2,20,22)(H,21,23)/b11-8+
InChIKeyXWXXVLXMAXTHMF-DHZHZOJOSA-N
MW328.41 g/mol
LogP2.57
Rot. Bonds8

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide (PubChem CID 9488922) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
PubChem CID9488922
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
SMILESNC(=O)COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H24N2O3/c20-18(22)14-24-17-9-6-16(7-10-17)8-11-19(23)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H2,20,22)(H,21,23)/b11-8+
InChIKeyXWXXVLXMAXTHMF-DHZHZOJOSA-N
XLogP2.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 798471
methyl 4-[(E)-3-[2-(cyclohexen-1-yl)ethylamino]-3-oxoprop-1-enyl]benzoate
CID 30500473
3-(4-tert-butylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
CID 1319876
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1221490
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(2-methylphenyl)ethyl]prop-2-enamide
CID 9488854
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861225
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide (CID 9488922) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide is NC(=O)COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide?
The InChIKey is XWXXVLXMAXTHMF-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-18(22)14-24-17-9-6-16(7-10-17)8-11-19(23)21-13-12-15-4-2-1-3-5-15/h4,6-11H,1-3,5,12-14H2,(H2,20,22)(H,21,23)/b11-8+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide has a molecular weight of 328.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 9488922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).