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

C16H20N2O3 — CID 7960168

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-3-18(4-2)15(19)11-21-16(20)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyYVMJNKNJPCBNJC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.12
Rot. Bonds6

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

[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960168) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960168
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-3-18(4-2)15(19)11-21-16(20)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyYVMJNKNJPCBNJC-UHFFFAOYSA-N
XLogP2.12
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017608
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9113975
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
CID 10732157
N,N-diethyl-3-(1H-indol-3-ylmethylamino)propanamide
CID 60961087
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
chloro 2-(1H-indol-3-yl)acetate
CID 174694401

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960168) is [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCN(CC)C(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is YVMJNKNJPCBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(4-2)15(19)11-21-16(20)9-12-10-17-14-8-6-5-7-13(12)14/h5-8,10,17H,3-4,9,11H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 288.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).