5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate

C20H23N2O4- — CID 7011815

IUPAC5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
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)/p-1
InChIKeyMYMKMBZYSZVYHB-UHFFFAOYSA-M
MW355.41 g/mol
LogP1.90
Rot. Bonds7

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

5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 7011815) has the molecular formula C20H23N2O4- and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
PubChem CID7011815
Molecular FormulaC20H23N2O4-
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
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)/p-1
InChIKeyMYMKMBZYSZVYHB-UHFFFAOYSA-M
XLogP1.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727900
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7326704
5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727944
methyl 5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326508
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate (CID 7011815) is 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate is CCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is MYMKMBZYSZVYHB-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate?
5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 355.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7011815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).