ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate

C19H27NO5 — CID 19866914

IUPACethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate
SMILESCCOC(=O)CCC(C)(C(=O)c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C19H27NO5/c1-4-25-17(21)9-10-19(2,20-11-13-24-14-12-20)18(22)15-5-7-16(23-3)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyNYQZMJGYHYZWKF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.31
Rot. Bonds8

About ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate

ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate (PubChem CID 19866914) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate
PubChem CID19866914
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate
SMILESCCOC(=O)CCC(C)(C(=O)c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C19H27NO5/c1-4-25-17(21)9-10-19(2,20-11-13-24-14-12-20)18(22)15-5-7-16(23-3)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyNYQZMJGYHYZWKF-UHFFFAOYSA-N
XLogP2.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate (CID 19866914) is ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate is CCOC(=O)CCC(C)(C(=O)c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate?
The InChIKey is NYQZMJGYHYZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-25-17(21)9-10-19(2,20-11-13-24-14-12-20)18(22)15-5-7-16(23-3)8-6-15/h5-8H,4,9-14H2,1-3H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate?
ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate has a molecular weight of 349.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-4-methyl-4-morpholin-4-yl-5-oxopentanoate is sourced from PubChem (CID 19866914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).