methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate

C14H18N2O4 — CID 79151802

IUPACmethyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-10-3-4-12(11(9-10)13(17)19-2)15-14(18)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyASVOEFGDVZUBDZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.65
Rot. Bonds2

About methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate

methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate (PubChem CID 79151802) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
PubChem CID79151802
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-10-3-4-12(11(9-10)13(17)19-2)15-14(18)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyASVOEFGDVZUBDZ-UHFFFAOYSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
methyl 3-(1,3-dioxol-2-yl)-4-(morpholine-4-carbonylamino)benzoate
CID 178077116
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
methyl 2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate
CID 134033514
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
methyl 2-(cyclopent-3-ene-1-carbonylamino)-5-methylbenzoate
CID 64767203
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate?
The IUPAC name of methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate (CID 79151802) is methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate is COC(=O)c1cc(C)ccc1NC(=O)N1CCOCC1.
What is the InChIKey of methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate?
The InChIKey is ASVOEFGDVZUBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-3-4-12(11(9-10)13(17)19-2)15-14(18)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,18).
What are the key properties of methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate?
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate has a molecular weight of 278.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate is sourced from PubChem (CID 79151802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).