ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate

C18H26N2O5 — CID 45226652

IUPACethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCOC(Cc2cccc(OC)c2)C1
InChIInChI=1S/C18H26N2O5/c1-3-24-17(21)7-8-19-18(22)20-9-10-25-16(13-20)12-14-5-4-6-15(11-14)23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,22)
InChIKeyWDEMALOAGUOVTO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.60
Rot. Bonds7

About ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate

ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate (PubChem CID 45226652) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
PubChem CID45226652
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCOC(Cc2cccc(OC)c2)C1
InChIInChI=1S/C18H26N2O5/c1-3-24-17(21)7-8-19-18(22)20-9-10-25-16(13-20)12-14-5-4-6-15(11-14)23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,22)
InChIKeyWDEMALOAGUOVTO-UHFFFAOYSA-N
XLogP1.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate (CID 45226652) is ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCOC(Cc2cccc(OC)c2)C1.
What is the InChIKey of ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate?
The InChIKey is WDEMALOAGUOVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-24-17(21)7-8-19-18(22)20-9-10-25-16(13-20)12-14-5-4-6-15(11-14)23-2/h4-6,11,16H,3,7-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate?
ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate has a molecular weight of 350.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 45226652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).