(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide

C21H22N2O4 — CID 17205470

IUPAC(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-19-8-5-16(6-9-19)7-10-20(24)22-18-4-2-3-17(15-18)21(25)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3,(H,22,24)/b10-7+
InChIKeyATNSYOSPELVEHM-JXMROGBWSA-N
MW366.42 g/mol
LogP2.82
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide (PubChem CID 17205470) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
PubChem CID17205470
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-26-19-8-5-16(6-9-19)7-10-20(24)22-18-4-2-3-17(15-18)21(25)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3,(H,22,24)/b10-7+
InChIKeyATNSYOSPELVEHM-JXMROGBWSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]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

N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
CID 55797078
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 98823643
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 55797040
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
(E)-4-hydroxy-4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-oxobut-3-enoic acid
CID 71717789
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180
3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 5104066
3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19338866

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide (CID 17205470) is (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
The InChIKey is ATNSYOSPELVEHM-JXMROGBWSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-19-8-5-16(6-9-19)7-10-20(24)22-18-4-2-3-17(15-18)21(25)23-11-13-27-14-12-23/h2-10,15H,11-14H2,1H3,(H,22,24)/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 17205470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).