methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate

C21H24N2O5 — CID 6463110

IUPACmethyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)c1
InChIInChI=1S/C21H24N2O5/c1-3-28-17-6-4-5-15(13-17)20(24)22-16-7-8-19(18(14-16)21(25)26-2)23-9-11-27-12-10-23/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,24)
InChIKeyHYQFBRCXCVQIKM-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.96
Rot. Bonds6

About methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate

methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 6463110) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID6463110
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)c1
InChIInChI=1S/C21H24N2O5/c1-3-28-17-6-4-5-15(13-17)20(24)22-16-7-8-19(18(14-16)21(25)26-2)23-9-11-27-12-10-23/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,24)
InChIKeyHYQFBRCXCVQIKM-UHFFFAOYSA-N
XLogP2.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.96
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

methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 43913710
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
methyl 5-[(4-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4727987
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
methyl 2-morpholin-4-yl-5-[(2-phenylacetyl)amino]benzoate
CID 7328433
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 6463110) is methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate is CCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)c1.
What is the InChIKey of methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is HYQFBRCXCVQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-28-17-6-4-5-15(13-17)20(24)22-16-7-8-19(18(14-16)21(25)26-2)23-9-11-27-12-10-23/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,24).
What are the key properties of methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 6463110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).