[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C15H18N2O4 — CID 7960167

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O4/c1-20-7-6-16-14(18)10-21-15(19)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,17H,6-8,10H2,1H3,(H,16,18)
InChIKeyFJHBAEUBQZZOSQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.02
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960167) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960167
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O4/c1-20-7-6-16-14(18)10-21-15(19)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,17H,6-8,10H2,1H3,(H,16,18)
InChIKeyFJHBAEUBQZZOSQ-UHFFFAOYSA-N
XLogP1.02
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960280
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960167) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is COCCNC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is FJHBAEUBQZZOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-7-6-16-14(18)10-21-15(19)8-11-9-17-13-5-3-2-4-12(11)13/h2-5,9,17H,6-8,10H2,1H3,(H,16,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 290.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).