methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate

C19H27NO5 — CID 56790838

IUPACmethyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate
SMILESCCOc1ccc(CC(=O)N(CCC(=O)OC)CC2CCCO2)cc1
InChIInChI=1S/C19H27NO5/c1-3-24-16-8-6-15(7-9-16)13-18(21)20(11-10-19(22)23-2)14-17-5-4-12-25-17/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyZFHBGWHXCYFKGK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.20
Rot. Bonds9

About methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 56790838) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate
PubChem CID56790838
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Namemethyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate
SMILESCCOc1ccc(CC(=O)N(CCC(=O)OC)CC2CCCO2)cc1
InChIInChI=1S/C19H27NO5/c1-3-24-16-8-6-15(7-9-16)13-18(21)20(11-10-19(22)23-2)14-17-5-4-12-25-17/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyZFHBGWHXCYFKGK-UHFFFAOYSA-N
XLogP2.20
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate (CID 56790838) is methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate is CCOc1ccc(CC(=O)N(CCC(=O)OC)CC2CCCO2)cc1.
What is the InChIKey of methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is ZFHBGWHXCYFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-3-24-16-8-6-15(7-9-16)13-18(21)20(11-10-19(22)23-2)14-17-5-4-12-25-17/h6-9,17H,3-5,10-14H2,1-2H3.
What are the key properties of methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 349.43 g/mol, XLogP of 2.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-ethoxyphenyl)acetyl]-(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 56790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).