5-benzamido-2-morpholin-4-ylbenzoic acid

C18H18N2O4 — CID 736443

IUPAC5-benzamido-2-morpholin-4-ylbenzoic acid
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(13-4-2-1-3-5-13)19-14-6-7-16(15(12-14)18(22)23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
InChIKeyZVDZKUSKSCLKIX-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.47
Rot. Bonds4

About 5-benzamido-2-morpholin-4-ylbenzoic acid

5-benzamido-2-morpholin-4-ylbenzoic acid (PubChem CID 736443) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-benzamido-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-benzamido-2-morpholin-4-ylbenzoic acid
PubChem CID736443
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-benzamido-2-morpholin-4-ylbenzoic acid
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(13-4-2-1-3-5-13)19-14-6-7-16(15(12-14)18(22)23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
InChIKeyZVDZKUSKSCLKIX-UHFFFAOYSA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-benzamido-2-morpholin-4-ylbenzoic acid (CID 736443) is 5-benzamido-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-benzamido-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-benzamido-2-morpholin-4-ylbenzoic acid is O=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-2-morpholin-4-ylbenzoic acid?
The InChIKey is ZVDZKUSKSCLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(13-4-2-1-3-5-13)19-14-6-7-16(15(12-14)18(22)23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23).
What are the key properties of 5-benzamido-2-morpholin-4-ylbenzoic acid?
5-benzamido-2-morpholin-4-ylbenzoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 736443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).