[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

C23H25N3O4 — CID 38330775

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-20(19-4-2-3-5-21(19)24-16)14-23(28)30-15-22(27)25-17-6-8-18(9-7-17)26-10-12-29-13-11-26/h2-9,24H,10-15H2,1H3,(H,25,27)
InChIKeyWQEHRBMZUZWRJN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.04
Rot. Bonds6

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (PubChem CID 38330775) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
PubChem CID38330775
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-20(19-4-2-3-5-21(19)24-16)14-23(28)30-15-22(27)25-17-6-8-18(9-7-17)26-10-12-29-13-11-26/h2-9,24H,10-15H2,1H3,(H,25,27)
InChIKeyWQEHRBMZUZWRJN-UHFFFAOYSA-N
XLogP3.04
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38338434
2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 39041089
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795857
[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405482
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18099034
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 3921616
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 16625383

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (CID 38330775) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is Cc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The InChIKey is WQEHRBMZUZWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-20(19-4-2-3-5-21(19)24-16)14-23(28)30-15-22(27)25-17-6-8-18(9-7-17)26-10-12-29-13-11-26/h2-9,24H,10-15H2,1H3,(H,25,27).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate has a molecular weight of 407.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 38330775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).