(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide

C23H29NO2 — CID 30384346

IUPAC(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-6-26-21-14-10-19(11-15-21)17(2)24-22(25)16-9-18-7-12-20(13-8-18)23(3,4)5/h7-17H,6H2,1-5H3,(H,24,25)/b16-9+/t17-/m1/s1
InChIKeyXKDQOLJAXIUEAV-JDZKTDJGSA-N
MW351.49 g/mol
LogP5.27
Rot. Bonds6

About (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 30384346) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
PubChem CID30384346
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-6-26-21-14-10-19(11-15-21)17(2)24-22(25)16-9-18-7-12-20(13-8-18)23(3,4)5/h7-17H,6H2,1-5H3,(H,24,25)/b16-9+/t17-/m1/s1
InChIKeyXKDQOLJAXIUEAV-JDZKTDJGSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843392
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
CID 99998157
methyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]propanoate
CID 76872215
3-(4-ethoxyphenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 79252983
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
(E)-3-(5-chlorothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 24612777
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
(2S,3R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104965044
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752123

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide (CID 30384346) is (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide is CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is XKDQOLJAXIUEAV-JDZKTDJGSA-N. The full InChI is InChI=1S/C23H29NO2/c1-6-26-21-14-10-19(11-15-21)17(2)24-22(25)16-9-18-7-12-20(13-8-18)23(3,4)5/h7-17H,6H2,1-5H3,(H,24,25)/b16-9+/t17-/m1/s1.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 351.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 30384346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).