methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate

C21H24N2O3 — CID 6198714

IUPACmethyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
SMILESCOC(=O)c1cc(NC/C=C/c2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-25-21(24)19-16-18(9-10-20(19)23-12-14-26-15-13-23)22-11-5-8-17-6-3-2-4-7-17/h2-10,16,22H,11-15H2,1H3/b8-5+
InChIKeyKSJDCYPDTBRTBX-VMPITWQZSA-N
MW352.43 g/mol
LogP3.44
Rot. Bonds6

About methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate

methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate (PubChem CID 6198714) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
PubChem CID6198714
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namemethyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
SMILESCOC(=O)c1cc(NC/C=C/c2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O3/c1-25-21(24)19-16-18(9-10-20(19)23-12-14-26-15-13-23)22-11-5-8-17-6-3-2-4-7-17/h2-10,16,22H,11-15H2,1H3/b8-5+
InChIKeyKSJDCYPDTBRTBX-VMPITWQZSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
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

methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 7329194
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
methyl 5-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 3162062
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate (CID 6198714) is methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate is COC(=O)c1cc(NC/C=C/c2ccccc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate?
The InChIKey is KSJDCYPDTBRTBX-VMPITWQZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-21(24)19-16-18(9-10-20(19)23-12-14-26-15-13-23)22-11-5-8-17-6-3-2-4-7-17/h2-10,16,22H,11-15H2,1H3/b8-5+.
What are the key properties of methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate?
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate is sourced from PubChem (CID 6198714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).