methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate

C14H18N2O4 — CID 37471919

IUPACmethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)11-4-2-3-5-12(11)15-10-13(17)16-6-8-20-9-7-16/h2-5,15H,6-10H2,1H3
InChIKeyONXQNMFSOHHADT-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds4

About methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate

methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate (PubChem CID 37471919) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
PubChem CID37471919
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)11-4-2-3-5-12(11)15-10-13(17)16-6-8-20-9-7-16/h2-5,15H,6-10H2,1H3
InChIKeyONXQNMFSOHHADT-UHFFFAOYSA-N
XLogP0.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
methyl 2-[(2,2-dimethyl-3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108959939
methyl 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzoate
CID 109004587
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
2-[2-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 86930964
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate (CID 37471919) is methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate is COC(=O)c1ccccc1NCC(=O)N1CCOCC1.
What is the InChIKey of methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate?
The InChIKey is ONXQNMFSOHHADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)11-4-2-3-5-12(11)15-10-13(17)16-6-8-20-9-7-16/h2-5,15H,6-10H2,1H3.
What are the key properties of methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate?
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate has a molecular weight of 278.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 37471919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).