methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate

C15H20N2O4 — CID 78925882

IUPACmethyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-10-17(7-8-21-13)11-14(18)16-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)
InChIKeyBZDMTSQBHKAOCY-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.18
Rot. Bonds5

About methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate

methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate (PubChem CID 78925882) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
PubChem CID78925882
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-10-17(7-8-21-13)11-14(18)16-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)
InChIKeyBZDMTSQBHKAOCY-UHFFFAOYSA-N
XLogP0.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926407
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387
methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926342
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate (CID 78925882) is methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(=O)NCc2ccccc2)CCO1.
What is the InChIKey of methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate?
The InChIKey is BZDMTSQBHKAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)13-10-17(7-8-21-13)11-14(18)16-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18).
What are the key properties of methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate?
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate is sourced from PubChem (CID 78925882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).