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

C15H21NO3 — CID 110364132

IUPACmethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C15H21NO3/c1-11(2)12-4-6-13(7-5-12)14-10-16(8-9-19-14)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyLGKSDOKUKWCWAX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.95
Rot. Bonds2

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

methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate (PubChem CID 110364132) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
PubChem CID110364132
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C15H21NO3/c1-11(2)12-4-6-13(7-5-12)14-10-16(8-9-19-14)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyLGKSDOKUKWCWAX-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
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
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The IUPAC name of methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate (CID 110364132) is methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The canonical SMILES for methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate is COC(=O)N1CCOC(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
The InChIKey is LGKSDOKUKWCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)12-4-6-13(7-5-12)14-10-16(8-9-19-14)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate?
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 110364132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).