(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide

C19H21NO3 — CID 7761266

IUPAC(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3/c1-15-6-9-17(10-7-15)23-13-12-20-19(21)11-8-16-4-3-5-18(14-16)22-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-8+
InChIKeyCHGYLXWQUOASKX-DHZHZOJOSA-N
MW311.38 g/mol
LogP3.21
Rot. Bonds7

About (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide (PubChem CID 7761266) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
PubChem CID7761266
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCCOc2ccc(C)cc2)c1
InChIInChI=1S/C19H21NO3/c1-15-6-9-17(10-7-15)23-13-12-20-19(21)11-8-16-4-3-5-18(14-16)22-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-8+
InChIKeyCHGYLXWQUOASKX-DHZHZOJOSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.21
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'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 55716988
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9022525
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 78780818
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide (CID 7761266) is (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide is COc1cccc(/C=C/C(=O)NCCOc2ccc(C)cc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The InChIKey is CHGYLXWQUOASKX-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15-6-9-17(10-7-15)23-13-12-20-19(21)11-8-16-4-3-5-18(14-16)22-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-8+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 7761266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).