4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide

C17H23N3O4 — CID 102562606

IUPAC4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)Cc2cccc(N3CCOCC3)c2)CCO1
InChIInChI=1S/C17H23N3O4/c18-17(22)15-12-20(6-9-24-15)16(21)11-13-2-1-3-14(10-13)19-4-7-23-8-5-19/h1-3,10,15H,4-9,11-12H2,(H2,18,22)
InChIKeyZQVHRKRFFFGJQZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.22
Rot. Bonds4

About 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide

4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide (PubChem CID 102562606) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
PubChem CID102562606
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)Cc2cccc(N3CCOCC3)c2)CCO1
InChIInChI=1S/C17H23N3O4/c18-17(22)15-12-20(6-9-24-15)16(21)11-13-2-1-3-14(10-13)19-4-7-23-8-5-19/h1-3,10,15H,4-9,11-12H2,(H2,18,22)
InChIKeyZQVHRKRFFFGJQZ-UHFFFAOYSA-N
XLogP-0.22
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide (CID 102562606) is 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)Cc2cccc(N3CCOCC3)c2)CCO1.
What is the InChIKey of 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide?
The InChIKey is ZQVHRKRFFFGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c18-17(22)15-12-20(6-9-24-15)16(21)11-13-2-1-3-14(10-13)19-4-7-23-8-5-19/h1-3,10,15H,4-9,11-12H2,(H2,18,22).
What are the key properties of 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide?
4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-morpholin-4-ylphenyl)acetyl]morpholine-2-carboxamide is sourced from PubChem (CID 102562606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).