methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate

C16H21NO4 — CID 89092566

IUPACmethyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c1-19-16(18)7-4-14-2-5-15(6-3-14)21-13-10-17-8-11-20-12-9-17/h2-7H,8-13H2,1H3/b7-4+
InChIKeyNGTLSUWXFQAHLI-QPJJXVBHSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds6

About methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate

methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate (PubChem CID 89092566) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
PubChem CID89092566
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H21NO4/c1-19-16(18)7-4-14-2-5-15(6-3-14)21-13-10-17-8-11-20-12-9-17/h2-7H,8-13H2,1H3/b7-4+
InChIKeyNGTLSUWXFQAHLI-QPJJXVBHSA-N
XLogP1.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate 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

1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19566862
1-(1,3-benzodioxol-5-yl)-7-[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123241646
(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567216
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate (CID 89092566) is methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
The InChIKey is NGTLSUWXFQAHLI-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H21NO4/c1-19-16(18)7-4-14-2-5-15(6-3-14)21-13-10-17-8-11-20-12-9-17/h2-7H,8-13H2,1H3/b7-4+.
What are the key properties of methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate?
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 89092566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).