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

C20H23NO3 — CID 27039844

IUPAC(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-16-5-3-6-19(15-16)24-14-4-13-21-20(22)12-9-17-7-10-18(23-2)11-8-17/h3,5-12,15H,4,13-14H2,1-2H3,(H,21,22)/b12-9+
InChIKeyJKSVDQMBVYNYJK-FMIVXFBMSA-N
MW325.41 g/mol
LogP3.60
Rot. Bonds8

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

(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide (PubChem CID 27039844) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
PubChem CID27039844
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCCOc2cccc(C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-16-5-3-6-19(15-16)24-14-4-13-21-20(22)12-9-17-7-10-18(23-2)11-8-17/h3,5-12,15H,4,13-14H2,1-2H3,(H,21,22)/b12-9+
InChIKeyJKSVDQMBVYNYJK-FMIVXFBMSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.60
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

N-methyl-4-[(E)-3-[2-(3-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 134062147
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
2-(3-methylphenoxy)ethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55326528
(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 9224174
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 55716988
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide (CID 27039844) is (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCCOc2cccc(C)c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
The InChIKey is JKSVDQMBVYNYJK-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H23NO3/c1-16-5-3-6-19(15-16)24-14-4-13-21-20(22)12-9-17-7-10-18(23-2)11-8-17/h3,5-12,15H,4,13-14H2,1-2H3,(H,21,22)/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide is sourced from PubChem (CID 27039844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).