(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate

C23H22N2O4 — CID 17474861

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N2O4/c26-22(25-13-15-28-16-14-25)21(18-7-2-1-3-8-18)29-23(27)19-9-6-10-20(17-19)24-11-4-5-12-24/h1-12,17,21H,13-16H2
InChIKeyBNSNPCZKSZAYPQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.23
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate (PubChem CID 17474861) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate
PubChem CID17474861
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate
SMILESO=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N2O4/c26-22(25-13-15-28-16-14-25)21(18-7-2-1-3-8-18)29-23(27)19-9-6-10-20(17-19)24-11-4-5-12-24/h1-12,17,21H,13-16H2
InChIKeyBNSNPCZKSZAYPQ-UHFFFAOYSA-N
XLogP3.23
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate (CID 17474861) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate is O=C(OC(C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cccc2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate?
The InChIKey is BNSNPCZKSZAYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(25-13-15-28-16-14-25)21(18-7-2-1-3-8-18)29-23(27)19-9-6-10-20(17-19)24-11-4-5-12-24/h1-12,17,21H,13-16H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate has a molecular weight of 390.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-pyrrol-1-ylbenzoate is sourced from PubChem (CID 17474861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).