ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate

C16H23NO3 — CID 110364133

IUPACethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H23NO3/c1-4-19-16(18)17-9-10-20-15(11-17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySWGAGFGCAGQCAN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.34
Rot. Bonds3

About ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate

ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate (PubChem CID 110364133) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
PubChem CID110364133
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H23NO3/c1-4-19-16(18)17-9-10-20-15(11-17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySWGAGFGCAGQCAN-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 110364135
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120
ethyl (2S)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]morpholine-4-carboxylate
CID 87367540
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The IUPAC name of ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate (CID 110364133) is ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate is CCOC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The InChIKey is SWGAGFGCAGQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-16(18)17-9-10-20-15(11-17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 110364133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).