3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H23ClN2O4 — CID 71689376

IUPAC3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCCOCCCNC(=O)C1OCC(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O4/c1-3-23-10-4-9-19-17(22)16-15(20(2)14(21)11-24-16)12-5-7-13(18)8-6-12/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyUZJCHCKAJZXRDF-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.78
Rot. Bonds7

About 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide

3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 71689376) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID71689376
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCCOCCCNC(=O)C1OCC(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O4/c1-3-23-10-4-9-19-17(22)16-15(20(2)14(21)11-24-16)12-5-7-13(18)8-6-12/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyUZJCHCKAJZXRDF-UHFFFAOYSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 71689376) is 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide is CCOCCCNC(=O)C1OCC(=O)N(C)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is UZJCHCKAJZXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-3-23-10-4-9-19-17(22)16-15(20(2)14(21)11-24-16)12-5-7-13(18)8-6-12/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide?
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 354.83 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 71689376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).