methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate

C15H21NO4 — CID 178103490

IUPACmethyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCOC(C)(C)C2OC)cc1
InChIInChI=1S/C15H21NO4/c1-15(2)14(19-4)16(9-10-20-15)12-7-5-11(6-8-12)13(17)18-3/h5-8,14H,9-10H2,1-4H3
InChIKeyZRRRJEQOSGHUPD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds3

About methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate

methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate (PubChem CID 178103490) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate
PubChem CID178103490
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCOC(C)(C)C2OC)cc1
InChIInChI=1S/C15H21NO4/c1-15(2)14(19-4)16(9-10-20-15)12-7-5-11(6-8-12)13(17)18-3/h5-8,14H,9-10H2,1-4H3
InChIKeyZRRRJEQOSGHUPD-UHFFFAOYSA-N
XLogP2.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate
CID 178103497
methyl 4-(2-methyloxiran-2-yl)benzoate
CID 121218659
methyl 4-(2,3,4-trimethylpiperidin-1-yl)benzoate
CID 58023130
methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019247
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
4-(4-methoxycarbonylphenyl)-3-methylpiperazine-1-carboxylic acid
CID 175133649
methyl 4-(3-cyano-2-methylpyrrolidin-1-yl)benzoate
CID 117022475
methyl 4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzoate
CID 122384679
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006
methyl 4-(5-methyl-3-oxopyrazolidin-1-yl)benzoate
CID 70433974
methyl 4-[[4-(3-phenyl-1,3-oxazolidin-2-yl)triazol-1-yl]methyl]benzoate
CID 132654626
methyl 4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]benzoate
CID 69176328

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate (CID 178103490) is methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate is COC(=O)c1ccc(N2CCOC(C)(C)C2OC)cc1.
What is the InChIKey of methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate?
The InChIKey is ZRRRJEQOSGHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)14(19-4)16(9-10-20-15)12-7-5-11(6-8-12)13(17)18-3/h5-8,14H,9-10H2,1-4H3.
What are the key properties of methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate?
methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate has a molecular weight of 279.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 178103490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).