[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate

C22H26N2O4 — CID 7969375

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-16(2)17-3-5-18(6-4-17)22(26)28-15-21(25)23-19-7-9-20(10-8-19)24-11-13-27-14-12-24/h3-10,16H,11-15H2,1-2H3,(H,23,25)
InChIKeyKIZAUEHZQFVWEL-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.44
Rot. Bonds6

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 7969375) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID7969375
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-16(2)17-3-5-18(6-4-17)22(26)28-15-21(25)23-19-7-9-20(10-8-19)24-11-13-27-14-12-24/h3-10,16H,11-15H2,1-2H3,(H,23,25)
InChIKeyKIZAUEHZQFVWEL-UHFFFAOYSA-N
XLogP3.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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] 4-aminobenzoate
CID 7781225
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730099
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969377
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18099034
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 16624569
ethyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112405
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2417027
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate (CID 7969375) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is KIZAUEHZQFVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16(2)17-3-5-18(6-4-17)22(26)28-15-21(25)23-19-7-9-20(10-8-19)24-11-13-27-14-12-24/h3-10,16H,11-15H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 382.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate is sourced from PubChem (CID 7969375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).