N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide

C15H20N2O3 — CID 110696796

IUPACN-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1COCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-3-10-6-5-7-11(4-2)14(10)17-15(19)12-8-20-9-13(18)16-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySPBYYHKEKOOUEP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.26
Rot. Bonds4

About N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide

N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 110696796) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
PubChem CID110696796
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1COCC(=O)N1
InChIInChI=1S/C15H20N2O3/c1-3-10-6-5-7-11(4-2)14(10)17-15(19)12-8-20-9-13(18)16-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySPBYYHKEKOOUEP-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide (CID 110696796) is N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide is CCc1cccc(CC)c1NC(=O)C1COCC(=O)N1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is SPBYYHKEKOOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10-6-5-7-11(4-2)14(10)17-15(19)12-8-20-9-13(18)16-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide?
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).