[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate

C21H24N2O5 — CID 7990034

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-19-5-3-2-4-16(19)14-21(25)28-15-20(24)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyMCUHEHCQFSVUGA-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.26
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 7990034) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID7990034
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5/c1-26-19-5-3-2-4-16(19)14-21(25)28-15-20(24)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyMCUHEHCQFSVUGA-UHFFFAOYSA-N
XLogP2.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.26
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

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2388591
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 71820795
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 16625383
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 7990034) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is MCUHEHCQFSVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-19-5-3-2-4-16(19)14-21(25)28-15-20(24)22-17-6-8-18(9-7-17)23-10-12-27-13-11-23/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 384.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 7990034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).