(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide

C24H25NO4 — CID 19174613

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H25NO4/c1-3-28-22-13-11-18(17-23(22)27-2)12-14-24(26)25-15-16-29-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,17H,3,15-16H2,1-2H3,(H,25,26)/b14-12+
InChIKeyFNHWWRGUPGSAEB-WYMLVPIESA-N
MW391.47 g/mol
LogP4.46
Rot. Bonds9

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide (PubChem CID 19174613) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide
PubChem CID19174613
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H25NO4/c1-3-28-22-13-11-18(17-23(22)27-2)12-14-24(26)25-15-16-29-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,17H,3,15-16H2,1-2H3,(H,25,26)/b14-12+
InChIKeyFNHWWRGUPGSAEB-WYMLVPIESA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
N-[2-(3-bromophenoxy)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 76867422
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19174605
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethylcarbamothioyl]prop-2-enamide
CID 2936829
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide (CID 19174613) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc23)cc1OC.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide?
The InChIKey is FNHWWRGUPGSAEB-WYMLVPIESA-N. The full InChI is InChI=1S/C24H25NO4/c1-3-28-22-13-11-18(17-23(22)27-2)12-14-24(26)25-15-16-29-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,17H,3,15-16H2,1-2H3,(H,25,26)/b14-12+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide is sourced from PubChem (CID 19174613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).