methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate

C16H22N2O4 — CID 55987244

IUPACmethyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-16(2)11-22-9-8-18(16)10-14(19)17-13-6-4-12(5-7-13)15(20)21-3/h4-7H,8-11H2,1-3H3,(H,17,19)
InChIKeyHWKSEVMCMXZBEE-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.52
Rot. Bonds4

About methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate

methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate (PubChem CID 55987244) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate
PubChem CID55987244
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C16H22N2O4/c1-16(2)11-22-9-8-18(16)10-14(19)17-13-6-4-12(5-7-13)15(20)21-3/h4-7H,8-11H2,1-3H3,(H,17,19)
InChIKeyHWKSEVMCMXZBEE-UHFFFAOYSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
CID 55987245
methyl 4-[[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]methyl]benzoate
CID 124626482
methyl 4-[(3,3-dimethylmorpholin-4-yl)sulfonylmethyl]benzoate
CID 122158043
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55987630
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 75366166
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate (CID 55987244) is methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN2CCOCC2(C)C)cc1.
What is the InChIKey of methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate?
The InChIKey is HWKSEVMCMXZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2)11-22-9-8-18(16)10-14(19)17-13-6-4-12(5-7-13)15(20)21-3/h4-7H,8-11H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate?
methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 55987244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).