methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate

C20H23N3O4 — CID 109010194

IUPACmethyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-20(25)15-6-8-16(9-7-15)22-19(24)14-21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9,21H,10-14H2,1H3,(H,22,24)
InChIKeyGFYBFXPACLMNMO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.36
Rot. Bonds6

About methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate

methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate (PubChem CID 109010194) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
PubChem CID109010194
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-20(25)15-6-8-16(9-7-15)22-19(24)14-21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9,21H,10-14H2,1H3,(H,22,24)
InChIKeyGFYBFXPACLMNMO-UHFFFAOYSA-N
XLogP2.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate (CID 109010194) is methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate?
The InChIKey is GFYBFXPACLMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-20(25)15-6-8-16(9-7-15)22-19(24)14-21-17-4-2-3-5-18(17)23-10-12-27-13-11-23/h2-9,21H,10-14H2,1H3,(H,22,24).
What are the key properties of methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109010194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).