ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride

C21H25ClN2O5 — CID 163326534

IUPACethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1.Cl
InChIInChI=1S/C21H24N2O5.ClH/c1-3-28-21(25)17-14-15(8-9-18(17)23-10-12-27-13-11-23)22-20(24)16-6-4-5-7-19(16)26-2;/h4-9,14H,3,10-13H2,1-2H3,(H,22,24);1H
InChIKeyDCMPSJKSEFXIBR-UHFFFAOYSA-N
MW420.89 g/mol
LogP3.38
Rot. Bonds6

About ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride

ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride (PubChem CID 163326534) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
PubChem CID163326534
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Nameethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1.Cl
InChIInChI=1S/C21H24N2O5.ClH/c1-3-28-21(25)17-14-15(8-9-18(17)23-10-12-27-13-11-23)22-20(24)16-6-4-5-7-19(16)26-2;/h4-9,14H,3,10-13H2,1-2H3,(H,22,24);1H
InChIKeyDCMPSJKSEFXIBR-UHFFFAOYSA-N
XLogP3.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 53.38
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

ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
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 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride?
The IUPAC name of ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride (CID 163326534) is ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride.
What is the SMILES notation for ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride?
The canonical SMILES for ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride is CCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1.Cl.
What is the InChIKey of ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride?
The InChIKey is DCMPSJKSEFXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5.ClH/c1-3-28-21(25)17-14-15(8-9-18(17)23-10-12-27-13-11-23)22-20(24)16-6-4-5-7-19(16)26-2;/h4-9,14H,3,10-13H2,1-2H3,(H,22,24);1H.
What are the key properties of ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride?
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride has a molecular weight of 420.89 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride is sourced from PubChem (CID 163326534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).