methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate

C20H22N2O4 — CID 7328433

IUPACmethyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C20H22N2O4/c1-25-20(24)17-14-16(7-8-18(17)22-9-11-26-12-10-22)21-19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,21,23)
InChIKeyRKBYMECQYQIPAA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate

methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate (PubChem CID 7328433) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
PubChem CID7328433
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1
InChIInChI=1S/C20H22N2O4/c1-25-20(24)17-14-16(7-8-18(17)22-9-11-26-12-10-22)21-19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,21,23)
InChIKeyRKBYMECQYQIPAA-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.49
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-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
CID 7328805
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate (CID 7328433) is methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate is COC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate?
The InChIKey is RKBYMECQYQIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-20(24)17-14-16(7-8-18(17)22-9-11-26-12-10-22)21-19(23)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,21,23).
What are the key properties of methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate?
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.49, 5 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-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 7328433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).