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

C15H17N3O4 — CID 4031786

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCNC(=O)NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O4/c1-2-16-15(21)18-13(19)9-22-14(20)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17H,2,7,9H2,1H3,(H2,16,18,19,21)
InChIKeyFTTFUCDXDYFATI-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.10
Rot. Bonds5

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4031786) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4031786
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCNC(=O)NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O4/c1-2-16-15(21)18-13(19)9-22-14(20)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17H,2,7,9H2,1H3,(H2,16,18,19,21)
InChIKeyFTTFUCDXDYFATI-UHFFFAOYSA-N
XLogP1.10
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 4270679
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960280
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960340
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960087
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664683

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 4031786) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCNC(=O)NC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is FTTFUCDXDYFATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-16-15(21)18-13(19)9-22-14(20)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17H,2,7,9H2,1H3,(H2,16,18,19,21).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 303.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4031786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).