(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C24H31NO2 — CID 133244558

IUPAC(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-4-6-10-19(5-2)18-25-24(26)23(21-11-8-7-9-12-21)17-20-13-15-22(27-3)16-14-20/h7-9,11-17,19H,4-6,10,18H2,1-3H3,(H,25,26)/b23-17+
InChIKeyAYZKBFLXJSLQJX-HAVVHWLPSA-N
MW365.52 g/mol
LogP5.57
Rot. Bonds10

About (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 133244558) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID133244558
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-4-6-10-19(5-2)18-25-24(26)23(21-11-8-7-9-12-21)17-20-13-15-22(27-3)16-14-20/h7-9,11-17,19H,4-6,10,18H2,1-3H3,(H,25,26)/b23-17+
InChIKeyAYZKBFLXJSLQJX-HAVVHWLPSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
CID 94018955
N-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
2-ethylhexyl 2,3-diphenylprop-2-enoate
CID 66844667
N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28576235
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
diphenylmethanone;2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
CID 67021609
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28566628
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 133244558) is (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is CCCCC(CC)CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is AYZKBFLXJSLQJX-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H31NO2/c1-4-6-10-19(5-2)18-25-24(26)23(21-11-8-7-9-12-21)17-20-13-15-22(27-3)16-14-20/h7-9,11-17,19H,4-6,10,18H2,1-3H3,(H,25,26)/b23-17+.
What are the key properties of (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 365.52 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 133244558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).