methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate

C18H26N2O5 — CID 119753825

IUPACmethyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate
SMILESCCOc1ccc(CC(CNC(=O)C2COCCN2)C(=O)OC)cc1
InChIInChI=1S/C18H26N2O5/c1-3-25-15-6-4-13(5-7-15)10-14(18(22)23-2)11-20-17(21)16-12-24-9-8-19-16/h4-7,14,16,19H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyXXFYTIYKGOWECT-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.52
Rot. Bonds8

About methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate

methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate (PubChem CID 119753825) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate
PubChem CID119753825
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate
SMILESCCOc1ccc(CC(CNC(=O)C2COCCN2)C(=O)OC)cc1
InChIInChI=1S/C18H26N2O5/c1-3-25-15-6-4-13(5-7-15)10-14(18(22)23-2)11-20-17(21)16-12-24-9-8-19-16/h4-7,14,16,19H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyXXFYTIYKGOWECT-UHFFFAOYSA-N
XLogP0.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
methyl 2-[[(2-amino-2-methylpropanoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 119306208
N-[2-(diethylamino)-3-phenylpropyl]morpholine-3-carboxamide
CID 119849942
methyl 2-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoate
CID 119753841
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate?
The IUPAC name of methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate (CID 119753825) is methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate?
The canonical SMILES for methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate is CCOc1ccc(CC(CNC(=O)C2COCCN2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate?
The InChIKey is XXFYTIYKGOWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-25-15-6-4-13(5-7-15)10-14(18(22)23-2)11-20-17(21)16-12-24-9-8-19-16/h4-7,14,16,19H,3,8-12H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate?
methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate has a molecular weight of 350.42 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxyphenyl)methyl]-3-(morpholine-3-carbonylamino)propanoate is sourced from PubChem (CID 119753825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).