(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C21H23NO2 — CID 9301543

IUPAC(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c1-3-15-24-20-12-9-18(10-13-20)11-14-21(23)22-16-17(2)19-7-5-4-6-8-19/h3-14,17H,1,15-16H2,2H3,(H,22,23)/b14-11+/t17-/m0/s1
InChIKeyBTSCQFFJXHAMOJ-WKOYGUFESA-N
MW321.42 g/mol
LogP4.18
Rot. Bonds8

About (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 9301543) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID9301543
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H23NO2/c1-3-15-24-20-12-9-18(10-13-20)11-14-21(23)22-16-17(2)19-7-5-4-6-8-19/h3-14,17H,1,15-16H2,2H3,(H,22,23)/b14-11+/t17-/m0/s1
InChIKeyBTSCQFFJXHAMOJ-WKOYGUFESA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9480872
3-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953514
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylpropyl)prop-2-enamide
CID 43010791
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 2613498
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9149673
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486332
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide
CID 78778090
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 9301543) is (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is BTSCQFFJXHAMOJ-WKOYGUFESA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-15-24-20-12-9-18(10-13-20)11-14-21(23)22-16-17(2)19-7-5-4-6-8-19/h3-14,17H,1,15-16H2,2H3,(H,22,23)/b14-11+/t17-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 321.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9301543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).