(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide

C17H25NO2 — CID 115612707

IUPAC(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCC(CC)CC
InChIInChI=1S/C17H25NO2/c1-4-14(5-2)13-18-17(19)12-11-15-9-7-8-10-16(15)20-6-3/h7-12,14H,4-6,13H2,1-3H3,(H,18,19)/b12-11+
InChIKeyGBFJCUXXXOZPQN-VAWYXSNFSA-N
MW275.39 g/mol
LogP3.65
Rot. Bonds8

About (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide (PubChem CID 115612707) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
PubChem CID115612707
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCC(CC)CC
InChIInChI=1S/C17H25NO2/c1-4-14(5-2)13-18-17(19)12-11-15-9-7-8-10-16(15)20-6-3/h7-12,14H,4-6,13H2,1-3H3,(H,18,19)/b12-11+
InChIKeyGBFJCUXXXOZPQN-VAWYXSNFSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.65
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

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
(E)-3-(2-ethoxyphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 103279773
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 103773009
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide (CID 115612707) is (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCC(CC)CC.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide?
The InChIKey is GBFJCUXXXOZPQN-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-14(5-2)13-18-17(19)12-11-15-9-7-8-10-16(15)20-6-3/h7-12,14H,4-6,13H2,1-3H3,(H,18,19)/b12-11+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide is sourced from PubChem (CID 115612707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).