5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid

C20H24N2O4 — CID 665868

IUPAC5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
SMILESCCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C20H24N2O4/c1-2-26-19-6-4-3-5-15(19)14-21-16-7-8-18(17(13-16)20(23)24)22-9-11-25-12-10-22/h3-8,13,21H,2,9-12,14H2,1H3,(H,23,24)
InChIKeyMYMKMBZYSZVYHB-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.23
Rot. Bonds7

About 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid

5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid (PubChem CID 665868) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
PubChem CID665868
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
SMILESCCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C20H24N2O4/c1-2-26-19-6-4-3-5-15(19)14-21-16-7-8-18(17(13-16)20(23)24)22-9-11-25-12-10-22/h3-8,13,21H,2,9-12,14H2,1H3,(H,23,24)
InChIKeyMYMKMBZYSZVYHB-UHFFFAOYSA-N
XLogP3.23
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 86272037
CID 86272037
CID 11429967
CID 11429967
CID 11775122
CID 11775122
CID 1941989
CID 1941989
CID 2920163
CID 2920163
CID 379512
CID 379512
CID 667343
CID 667343
CID 759347
CID 759347
CID 2996815
CID 2996815
CID 86272278
CID 86272278
CID 86272531
CID 86272531
CID 139501186
CID 139501186

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid (CID 665868) is 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid is CCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid?
The InChIKey is MYMKMBZYSZVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-26-19-6-4-3-5-15(19)14-21-16-7-8-18(17(13-16)20(23)24)22-9-11-25-12-10-22/h3-8,13,21H,2,9-12,14H2,1H3,(H,23,24).
What are the key properties of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid?
5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 665868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).