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

C23H28N2O5 — CID 7328773

IUPACethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C23H28N2O5/c1-4-29-23(27)20-14-18(5-6-21(20)25-7-9-28-10-8-25)24-22(26)15-30-19-12-16(2)11-17(3)13-19/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26)
InChIKeyFURWYIRVEBBCGP-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.33
Rot. Bonds7

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

ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (PubChem CID 7328773) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
PubChem CID7328773
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Nameethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1CCOCC1
InChIInChI=1S/C23H28N2O5/c1-4-29-23(27)20-14-18(5-6-21(20)25-7-9-28-10-8-25)24-22(26)15-30-19-12-16(2)11-17(3)13-19/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26)
InChIKeyFURWYIRVEBBCGP-UHFFFAOYSA-N
XLogP3.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.33
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-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
CID 7328805
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
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
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992745

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (CID 7328773) is ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is CCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1CCOCC1.
What is the InChIKey of ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The InChIKey is FURWYIRVEBBCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-29-23(27)20-14-18(5-6-21(20)25-7-9-28-10-8-25)24-22(26)15-30-19-12-16(2)11-17(3)13-19/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,24,26).
What are the key properties of ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate has a molecular weight of 412.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7328773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).