(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide

C15H20N2O4 — CID 170877800

IUPAC(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cc(N2CCOCC2)c(OC)cc1/C=C/C(N)=O
InChIInChI=1S/C15H20N2O4/c1-19-13-10-12(17-5-7-21-8-6-17)14(20-2)9-11(13)3-4-15(16)18/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18)/b4-3+
InChIKeyWFHSSMKMHGBXTQ-ONEGZZNKSA-N
MW292.34 g/mol
LogP1.04
Rot. Bonds5

About (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 170877800) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID170877800
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cc(N2CCOCC2)c(OC)cc1/C=C/C(N)=O
InChIInChI=1S/C15H20N2O4/c1-19-13-10-12(17-5-7-21-8-6-17)14(20-2)9-11(13)3-4-15(16)18/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18)/b4-3+
InChIKeyWFHSSMKMHGBXTQ-ONEGZZNKSA-N
XLogP1.04
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877805
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
CID 169367962
(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
CID 170877788
dimethyl (E)-2-(2,5-dimethoxy-4-morpholin-4-ylanilino)but-2-enedioate
CID 168568591
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
CID 133053467
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 76871231
(E)-3-(6-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enamide
CID 170877903
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
CID 121360080

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide (CID 170877800) is (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is COc1cc(N2CCOCC2)c(OC)cc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is WFHSSMKMHGBXTQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-13-10-12(17-5-7-21-8-6-17)14(20-2)9-11(13)3-4-15(16)18/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18)/b4-3+.
What are the key properties of (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).