(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide

C14H19NO3 — CID 79676613

IUPAC(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NOCCOC)cc1
InChIInChI=1S/C14H19NO3/c1-3-12-4-6-13(7-5-12)8-9-14(16)15-18-11-10-17-2/h4-9H,3,10-11H2,1-2H3,(H,15,16)/b9-8+
InChIKeyPJFYVHKFOYUVAM-CMDGGOBGSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds7

About (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide

(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide (PubChem CID 79676613) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
PubChem CID79676613
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NOCCOC)cc1
InChIInChI=1S/C14H19NO3/c1-3-12-4-6-13(7-5-12)8-9-14(16)15-18-11-10-17-2/h4-9H,3,10-11H2,1-2H3,(H,15,16)/b9-8+
InChIKeyPJFYVHKFOYUVAM-CMDGGOBGSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262
(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79675580
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
methyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407215
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
CID 83202117
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
CID 110495511
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
CID 143411666

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide (CID 79676613) is (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide is CCc1ccc(/C=C/C(=O)NOCCOC)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The InChIKey is PJFYVHKFOYUVAM-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-12-4-6-13(7-5-12)8-9-14(16)15-18-11-10-17-2/h4-9H,3,10-11H2,1-2H3,(H,15,16)/b9-8+.
What are the key properties of (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide?
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide is sourced from PubChem (CID 79676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).