N-(2-carbamoylphenyl)morpholine-4-carboxamide

C12H15N3O3 — CID 788807

IUPACN-(2-carbamoylphenyl)morpholine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)N1CCOCC1
InChIInChI=1S/C12H15N3O3/c13-11(16)9-3-1-2-4-10(9)14-12(17)15-5-7-18-8-6-15/h1-4H,5-8H2,(H2,13,16)(H,14,17)
InChIKeyMNJJVMAPTJRJIH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds2

About N-(2-carbamoylphenyl)morpholine-4-carboxamide

N-(2-carbamoylphenyl)morpholine-4-carboxamide (PubChem CID 788807) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)morpholine-4-carboxamide
PubChem CID788807
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-carbamoylphenyl)morpholine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)N1CCOCC1
InChIInChI=1S/C12H15N3O3/c13-11(16)9-3-1-2-4-10(9)14-12(17)15-5-7-18-8-6-15/h1-4H,5-8H2,(H2,13,16)(H,14,17)
InChIKeyMNJJVMAPTJRJIH-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)morpholine-4-carboxamide (CID 788807) is N-(2-carbamoylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)morpholine-4-carboxamide is NC(=O)c1ccccc1NC(=O)N1CCOCC1.
What is the InChIKey of N-(2-carbamoylphenyl)morpholine-4-carboxamide?
The InChIKey is MNJJVMAPTJRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(16)9-3-1-2-4-10(9)14-12(17)15-5-7-18-8-6-15/h1-4H,5-8H2,(H2,13,16)(H,14,17).
What are the key properties of N-(2-carbamoylphenyl)morpholine-4-carboxamide?
N-(2-carbamoylphenyl)morpholine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 788807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).