3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide

C23H28N2O3 — CID 55906040

IUPAC3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-22-6-4-3-5-20(22)9-12-23(26)24-21-10-7-19(8-11-21)13-14-25-15-17-27-18-16-25/h3-12H,2,13-18H2,1H3,(H,24,26)
InChIKeyZWNYGBRMYXMWSQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.61
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide

3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide (PubChem CID 55906040) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
PubChem CID55906040
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-22-6-4-3-5-20(22)9-12-23(26)24-21-10-7-19(8-11-21)13-14-25-15-17-27-18-16-25/h3-12H,2,13-18H2,1H3,(H,24,26)
InChIKeyZWNYGBRMYXMWSQ-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906567
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
CID 84560023
[3-amino-2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] 2-morpholin-4-ylethyl carbonate
CID 89294463
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide (CID 55906040) is 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide is CCOc1ccccc1C=CC(=O)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide?
The InChIKey is ZWNYGBRMYXMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-22-6-4-3-5-20(22)9-12-23(26)24-21-10-7-19(8-11-21)13-14-25-15-17-27-18-16-25/h3-12H,2,13-18H2,1H3,(H,24,26).
What are the key properties of 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide?
3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide has a molecular weight of 380.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55906040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).