ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate

C18H25NO5 — CID 69299982

IUPACethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H25NO5/c1-3-23-18(20)7-5-15-4-6-16(17(14-15)21-2)24-13-10-19-8-11-22-12-9-19/h4-7,14H,3,8-13H2,1-2H3
InChIKeyIYLBCDIQHRWYEW-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.98
Rot. Bonds8

About ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate

ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate (PubChem CID 69299982) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
PubChem CID69299982
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H25NO5/c1-3-23-18(20)7-5-15-4-6-16(17(14-15)21-2)24-13-10-19-8-11-22-12-9-19/h4-7,14H,3,8-13H2,1-2H3
InChIKeyIYLBCDIQHRWYEW-UHFFFAOYSA-N
XLogP1.98
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
CID 84560023
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20984224
(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 70159413
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
2-cyano-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 22687284
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl (E)-3-[4-(3-hydroxyhexoxy)-3-methoxyphenyl]prop-2-enoate
CID 11450118
2-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]propanedinitrile
CID 4778584

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate (CID 69299982) is ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(OCCN2CCOCC2)c(OC)c1.
What is the InChIKey of ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The InChIKey is IYLBCDIQHRWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-3-23-18(20)7-5-15-4-6-16(17(14-15)21-2)24-13-10-19-8-11-22-12-9-19/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate has a molecular weight of 335.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 69299982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).