(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide

C25H32N2O7 — CID 67102748

IUPAC(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(OCCN3CCOCC3)c2)c(OC)c1
InChIInChI=1S/C25H32N2O7/c1-29-19-16-22(31-3)20(23(17-19)32-4)6-8-25(28)26-18-5-7-21(30-2)24(15-18)34-14-11-27-9-12-33-13-10-27/h5-8,15-17H,9-14H2,1-4H3,(H,26,28)/b8-6+
InChIKeyPANLUTROXANEOJ-SOFGYWHQSA-N
MW472.54 g/mol
LogP3.08
Rot. Bonds11

About (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide

(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide (PubChem CID 67102748) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
PubChem CID67102748
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Name(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(OCCN3CCOCC3)c2)c(OC)c1
InChIInChI=1S/C25H32N2O7/c1-29-19-16-22(31-3)20(23(17-19)32-4)6-8-25(28)26-18-5-7-21(30-2)24(15-18)34-14-11-27-9-12-33-13-10-27/h5-8,15-17H,9-14H2,1-4H3,(H,26,28)/b8-6+
InChIKeyPANLUTROXANEOJ-SOFGYWHQSA-N
XLogP3.08
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenoxy]acetic acid
CID 67103294
(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl] 2-hydroxyacetate
CID 67102694
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
CID 84560023
3-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenoxy]-3-oxopropanoic acid
CID 11419427
[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl] dihydrogen phosphate
CID 67102938
N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 68957635
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 68628677
[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl] trifluoromethanesulfonate
CID 91601755
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]phenyl] benzoate
CID 67103271
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 71495779

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide (CID 67102748) is (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(OCCN3CCOCC3)c2)c(OC)c1.
What is the InChIKey of (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
The InChIKey is PANLUTROXANEOJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C25H32N2O7/c1-29-19-16-22(31-3)20(23(17-19)32-4)6-8-25(28)26-18-5-7-21(30-2)24(15-18)34-14-11-27-9-12-33-13-10-27/h5-8,15-17H,9-14H2,1-4H3,(H,26,28)/b8-6+.
What are the key properties of (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide?
(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide has a molecular weight of 472.54 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 67102748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).