ethyl 4-(morpholine-4-carbonylamino)benzoate

C14H18N2O4 — CID 3410816

IUPACethyl 4-(morpholine-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-13(17)11-3-5-12(6-4-11)15-14(18)16-7-9-19-10-8-16/h3-6H,2,7-10H2,1H3,(H,15,18)
InChIKeyBVMMFAAJERBTHK-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.73
Rot. Bonds3

About ethyl 4-(morpholine-4-carbonylamino)benzoate

ethyl 4-(morpholine-4-carbonylamino)benzoate (PubChem CID 3410816) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 4-(morpholine-4-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(morpholine-4-carbonylamino)benzoate
PubChem CID3410816
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 4-(morpholine-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c1-2-20-13(17)11-3-5-12(6-4-11)15-14(18)16-7-9-19-10-8-16/h3-6H,2,7-10H2,1H3,(H,15,18)
InChIKeyBVMMFAAJERBTHK-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(morpholine-4-carbonylamino)benzoate?
The IUPAC name of ethyl 4-(morpholine-4-carbonylamino)benzoate (CID 3410816) is ethyl 4-(morpholine-4-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-(morpholine-4-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-(morpholine-4-carbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl 4-(morpholine-4-carbonylamino)benzoate?
The InChIKey is BVMMFAAJERBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-13(17)11-3-5-12(6-4-11)15-14(18)16-7-9-19-10-8-16/h3-6H,2,7-10H2,1H3,(H,15,18).
What are the key properties of ethyl 4-(morpholine-4-carbonylamino)benzoate?
ethyl 4-(morpholine-4-carbonylamino)benzoate has a molecular weight of 278.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(morpholine-4-carbonylamino)benzoate is sourced from PubChem (CID 3410816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).