ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate

C22H26N2O4 — CID 4903199

IUPACethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-4-28-22(26)19-14-18(7-8-20(19)24-9-11-27-12-10-24)23-21(25)17-6-5-15(2)16(3)13-17/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyWWZLZWOGZCNWDF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.57
Rot. Bonds5

About ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate

ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 4903199) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID4903199
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C22H26N2O4/c1-4-28-22(26)19-14-18(7-8-20(19)24-9-11-27-12-10-24)23-21(25)17-6-5-15(2)16(3)13-17/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyWWZLZWOGZCNWDF-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.57
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-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 5-[(4-methoxy-3-nitrobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4909958
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
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
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
ethyl 5-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 43914650

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 4903199) is ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is WWZLZWOGZCNWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-28-22(26)19-14-18(7-8-20(19)24-9-11-27-12-10-24)23-21(25)17-6-5-15(2)16(3)13-17/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate?
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 382.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 4903199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).