ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate

C21H24N2O4 — CID 7328776

IUPACethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O4/c1-3-27-21(25)18-14-17(8-9-19(18)23-10-12-26-13-11-23)22-20(24)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyXJXLSKQHSZCECE-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.26
Rot. Bonds5

About ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate

ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 7328776) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID7328776
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O4/c1-3-27-21(25)18-14-17(8-9-19(18)23-10-12-26-13-11-23)22-20(24)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyXJXLSKQHSZCECE-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.26
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

ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
ethyl 5-[(4-methoxy-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4909958
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
ethyl 2-[[5-[(4-methylbenzoyl)amino]-2-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 46326408

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 7328776) is ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is XJXLSKQHSZCECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-21(25)18-14-17(8-9-19(18)23-10-12-26-13-11-23)22-20(24)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,22,24).
What are the key properties of ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7328776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).