ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate

C16H23NO4 — CID 64528220

IUPACethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-3-21-16(18)12-14(17-8-10-20-11-9-17)13-6-4-5-7-15(13)19-2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDHNTURSHNPPAGW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.02
Rot. Bonds6

About ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate

ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate (PubChem CID 64528220) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
PubChem CID64528220
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccccc1OC)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-3-21-16(18)12-14(17-8-10-20-11-9-17)13-6-4-5-7-15(13)19-2/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDHNTURSHNPPAGW-UHFFFAOYSA-N
XLogP2.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64527619
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl 3-(2-bromophenyl)-3-piperidin-1-ylpropanoate
CID 64539908
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622104
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
CID 110302826

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate (CID 64528220) is ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate is CCOC(=O)CC(c1ccccc1OC)N1CCOCC1.
What is the InChIKey of ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate?
The InChIKey is DHNTURSHNPPAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-21-16(18)12-14(17-8-10-20-11-9-17)13-6-4-5-7-15(13)19-2/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate?
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 64528220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).